R_OH_phar_1 OpenBabel05202509233D 54 60 0 0 0 0 0 0 0 0999 V2000 0.0266 -1.1672 -0.6164 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7655 -2.3850 -0.7658 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0181 -3.5450 -0.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5296 -3.5344 1.3127 N 0 0 2 0 0 0 0 0 0 0 0 0 1.5212 -2.4512 1.4324 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0758 -2.3063 0.0259 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2821 -2.7596 2.6893 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7722 -2.7218 2.8389 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5235 -1.9529 2.2636 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1021 -3.7431 3.7028 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2803 -4.7918 3.3551 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5650 -5.9789 3.3722 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9273 -4.1844 3.0807 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0089 -4.7441 1.9929 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1344 -5.4246 2.8252 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0097 -4.8886 3.4858 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 -6.7871 2.8291 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1479 -7.0976 1.9304 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5853 -5.9392 1.2638 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5485 -6.0541 0.2747 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1117 -7.3173 0.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3452 -7.4819 -1.1518 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.7266 -8.4431 0.7864 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7120 -8.3425 1.7375 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1764 -3.4978 5.1314 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1404 -2.2034 5.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0670 -2.0426 7.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1594 -3.1399 7.9253 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1658 -3.0504 9.2881 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7369 -1.7814 9.7885 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9785 -0.9629 8.7531 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7780 -0.7920 7.5665 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1860 -4.4229 7.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1496 -4.5947 6.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6341 -0.4157 -0.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8999 -2.5638 -1.8375 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2209 -4.4839 -0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0683 -3.3756 -0.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9757 -1.5214 1.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7376 -3.1235 -0.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5988 -1.3589 -0.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9033 -2.0889 3.4717 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -4.1433 4.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3626 -7.4436 3.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9075 -5.2015 -0.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2313 -9.3951 0.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4252 -9.1983 2.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0895 -1.3174 5.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0808 -1.9996 10.6378 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6066 -1.2324 10.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0360 -1.4581 8.4792 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7240 0.0232 9.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1656 -5.2766 8.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0748 -5.6205 5.6641 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 6 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 3 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 39 1 1 0 0 0 6 2 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 1 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 7 1 0 0 0 0 13 43 1 1 0 0 0 14 15 1 1 0 0 0 14 4 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 14 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 18 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 27 1 0 0 0 0 33 34 2 0 0 0 0 33 53 1 0 0 0 0 34 25 1 0 0 0 0 34 54 1 0 0 0 0 M END $$$$ R_OH_phar_2 OpenBabel05202509233D 54 60 0 0 0 0 0 0 0 0999 V2000 0.0345 -0.5585 0.7612 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9818 0.2851 1.4008 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8606 1.0442 0.3988 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0783 2.2079 -0.0352 N 0 0 2 0 0 0 0 0 0 0 0 0 -0.0053 2.4096 0.9633 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2395 1.4073 2.0878 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3296 2.5084 0.2269 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4827 1.5264 0.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8249 0.7713 1.0661 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0663 1.6714 -1.0936 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9994 1.7470 -1.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9556 1.3193 -3.0822 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9688 2.5948 -1.2431 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4969 2.2271 -1.3927 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0434 3.4940 -2.1665 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1091 4.6472 -1.7645 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2819 3.0996 -3.4750 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1732 1.7269 -3.6124 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8135 1.1407 -2.3954 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6799 -0.2402 -2.3274 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9328 -1.0012 -3.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8446 -2.7182 -3.3731 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2487 -0.3882 -4.6884 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3614 1.0015 -4.7695 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0113 2.7705 -1.2287 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8675 3.8006 -2.1967 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5672 4.9945 -2.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3521 5.1954 -0.8938 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8941 6.3972 -0.5614 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0840 7.2726 -1.6736 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7139 6.6683 -3.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4435 5.9946 -2.9717 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6382 4.1310 -0.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0105 2.8985 -0.2614 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6209 -0.8338 1.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5853 -0.3229 2.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2629 0.4219 -0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7351 1.4396 0.9331 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1661 3.4024 1.4061 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6628 1.0911 2.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9228 1.8572 2.8242 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7973 3.4506 0.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1706 3.6281 -1.5576 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5306 3.7510 -4.2033 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3734 -0.7409 -1.4201 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3936 -0.9947 -5.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5743 1.4855 -5.7148 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1907 3.7111 -3.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1518 7.5170 -1.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5339 8.2017 -1.4895 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4772 5.9419 -3.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6831 7.4481 -3.7924 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3562 4.2525 0.7353 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2743 2.0554 0.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 1 0 0 0 2 1 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 3 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 39 1 1 0 0 0 6 2 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 1 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 7 1 0 0 0 0 13 43 1 6 0 0 0 14 15 1 6 0 0 0 14 4 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 14 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 18 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 27 1 0 0 0 0 33 34 2 0 0 0 0 33 53 1 0 0 0 0 34 25 1 0 0 0 0 34 54 1 0 0 0 0 M END $$$$ R_OH_phar_3 OpenBabel05202509243D 54 60 0 0 0 0 0 0 0 0999 V2000 3.1990 -1.9790 0.7581 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7986 -1.8767 -0.5985 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2180 -0.5342 -1.1595 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1928 0.3770 -0.6783 N 0 0 1 0 0 0 0 0 0 0 0 0 0.9179 -0.2937 -0.6604 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2794 -1.8070 -0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2819 0.1112 0.5922 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4852 1.4208 0.8513 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4407 2.5446 0.4245 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0723 1.2037 2.0476 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0874 0.7632 2.7153 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1621 0.4241 3.8910 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3016 0.4752 1.6319 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3335 1.1951 0.6000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8065 1.1348 1.1801 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2643 0.3850 2.0273 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5569 2.1132 0.5294 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7604 2.9298 -0.2551 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4199 2.5645 -0.1278 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5390 3.1488 -1.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9466 4.1627 -1.9223 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7838 4.8838 -2.9691 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2906 4.5008 -2.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2171 3.8618 -1.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3418 0.5269 1.7682 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9621 0.8628 0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3749 -0.1314 -0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1416 -1.4606 0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1578 -2.4950 -0.9023 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5727 -2.0722 -2.2187 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6244 -0.9902 -2.0553 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9482 0.1849 -1.5618 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9002 -1.7559 1.3454 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5671 -0.7515 2.2567 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8358 -2.7910 1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2353 -2.7129 -1.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2438 -0.2338 -0.9447 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1218 -0.5685 -2.2551 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2885 -0.0307 -1.5341 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9947 -2.1981 -1.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7789 -2.4075 0.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3103 -0.7522 0.9252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7866 -0.4332 2.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5583 2.1807 0.6239 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5572 2.7499 -1.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6110 5.2020 -2.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2785 4.0371 -1.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9129 1.8922 0.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7057 -1.7081 -2.7927 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9719 -2.9529 -2.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3846 -1.2999 -1.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1398 -0.7597 -2.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9292 -2.7968 1.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3287 -1.0009 3.2869 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 6 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 3 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 39 1 6 0 0 0 6 2 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 1 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 7 1 0 0 0 0 13 43 1 1 0 0 0 14 15 1 1 0 0 0 14 4 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 14 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 18 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 27 1 0 0 0 0 33 34 2 0 0 0 0 33 53 1 0 0 0 0 34 25 1 0 0 0 0 34 54 1 0 0 0 0 M END $$$$ R_OH_phar_4 OpenBabel05202509243D 54 60 0 0 0 0 0 0 0 0999 V2000 0.6818 18.0982 3.8896 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4804 18.4696 2.7618 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0641 17.2073 2.0508 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6588 17.4568 0.6821 N 0 0 2 0 0 0 0 0 0 0 0 0 0.3100 17.9822 0.7891 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5894 19.1558 1.7027 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1391 18.2076 -0.6274 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5459 17.6739 -0.7074 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5059 18.2855 -0.2787 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4546 16.3869 -1.1824 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3052 16.2188 -1.9035 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0815 15.4426 -2.8218 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6958 17.2018 -1.4271 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7461 16.5620 -0.4603 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0562 16.7543 -1.2928 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6581 17.7938 -1.5299 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3549 15.5202 -1.8578 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6549 14.5094 -1.2228 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7910 15.0558 -0.2608 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2438 14.2001 0.6845 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5303 12.8229 0.5931 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9853 11.7591 1.8345 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2911 12.2969 -0.4625 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8707 13.1549 -1.3935 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3961 15.3503 -1.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7084 15.5670 -0.5817 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5781 14.4836 -0.4312 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1436 13.1883 -0.7103 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9704 12.1041 -0.6769 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9604 12.2937 0.3237 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6761 13.6346 0.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8353 14.7736 0.0119 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8254 12.9492 -1.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9588 14.0240 -1.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2037 17.8348 3.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2666 19.1418 3.1078 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6012 16.3116 2.4786 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1430 17.1410 2.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3521 17.2687 1.3045 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3247 19.5966 2.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1524 19.9303 1.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0522 19.2282 -1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1207 17.7142 -2.2994 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1290 15.3860 -2.4924 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6519 14.5653 1.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4747 11.2266 -0.5294 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5033 12.7708 -2.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0910 16.5641 -0.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6873 11.4819 0.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4814 12.1797 1.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2258 13.8090 1.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4083 13.6131 -0.6058 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4612 11.9382 -1.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9199 13.7876 -1.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 1 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 3 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 39 1 1 0 0 0 6 2 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 6 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 7 1 0 0 0 0 13 43 1 6 0 0 0 14 15 1 6 0 0 0 14 4 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 14 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 18 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 27 1 0 0 0 0 33 34 2 0 0 0 0 33 53 1 0 0 0 0 34 25 1 0 0 0 0 34 54 1 0 0 0 0 M END $$$$ R_OH_phar_5 OpenBabel05202509243D 54 60 0 0 0 0 0 0 0 0999 V2000 0.2867 0.1509 -4.4294 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4711 0.5553 -3.0955 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8387 0.1763 -2.4964 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4516 0.4353 -1.1601 N 0 0 1 0 0 0 0 0 0 0 0 0 0.2381 -0.3044 -0.8570 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5410 -0.1265 -2.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1877 0.5858 0.2443 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9931 0.3326 1.4455 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5063 -0.7099 1.7945 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8267 1.5600 2.0955 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4041 2.1169 1.7309 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8445 3.2377 1.9188 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0923 0.9444 1.0364 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2060 0.7733 0.0144 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1280 -0.4156 0.4595 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 -1.6061 0.4807 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3081 0.1472 0.9192 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2889 1.5234 0.7738 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1615 1.9198 0.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0128 3.2348 -0.3616 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9249 4.1621 0.1458 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7647 5.8233 -0.2746 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9511 3.7728 1.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1734 2.4241 1.3098 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9285 2.1863 2.6851 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7554 1.4001 3.4778 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6922 2.0350 4.2552 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0251 3.3785 4.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8908 4.0430 4.8914 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1086 3.3310 6.1292 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9754 2.3601 6.4284 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0452 1.3590 5.4037 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3278 4.1246 3.1216 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2161 3.5481 2.4972 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0918 0.3901 -4.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3407 1.6526 -3.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0771 -0.8781 -2.6919 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6448 0.8043 -2.8772 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3590 -1.3509 -0.5568 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8512 -1.0952 -2.5572 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4468 0.4837 -2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6308 1.4802 -0.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3079 0.2556 1.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0718 -0.4056 1.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1800 3.5452 -0.9835 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5691 4.5264 1.5092 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9564 2.1114 1.9912 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5607 0.3455 3.6514 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0549 2.7864 6.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1932 4.0787 6.9334 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9889 2.8554 6.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0717 1.8745 7.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5675 5.1728 2.9672 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5988 4.1700 1.8525 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 1 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 3 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 39 1 1 0 0 0 6 2 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 6 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 7 1 0 0 0 0 13 43 1 1 0 0 0 14 15 1 1 0 0 0 14 4 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 14 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 18 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 27 1 0 0 0 0 33 34 2 0 0 0 0 33 53 1 0 0 0 0 34 25 1 0 0 0 0 34 54 1 0 0 0 0 M END $$$$ R_OH_phar_6 OpenBabel05202509243D 54 60 0 0 0 0 0 0 0 0999 V2000 1.1422 7.7317 -2.1634 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9166 6.6357 -2.6435 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0077 6.2454 -1.6642 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3348 5.5143 -0.5911 N 0 0 2 0 0 0 0 0 0 0 0 0 1.1949 4.8378 -1.1845 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0707 5.3778 -2.6342 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0427 5.2804 -0.3628 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5527 4.4133 0.6852 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1472 3.4120 1.2310 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6847 5.1049 0.9822 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3171 6.4222 0.7359 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0860 7.3680 0.5306 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2753 6.5360 0.4860 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8219 6.2359 0.6271 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4034 5.2473 1.7866 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1219 4.0935 2.0582 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5370 5.8474 2.3124 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7407 7.0948 1.7717 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6699 7.4620 0.9513 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6257 8.7312 0.4013 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7631 9.5298 0.5324 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8282 11.0354 -0.2978 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8895 9.0888 1.2508 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8677 7.8682 1.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7954 4.3903 0.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2843 4.6458 -0.8667 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1104 3.6964 -1.4642 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3801 2.4575 -0.8625 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2696 1.5517 -1.3777 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1621 2.1279 -2.3478 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1377 3.6519 -2.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7906 4.0763 -2.5969 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8280 2.1632 0.3685 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0835 3.1440 1.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0987 8.3961 -2.8741 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3108 6.8781 -3.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6756 5.5261 -2.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6483 7.0653 -1.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2919 3.7474 -1.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0408 5.5902 -2.9521 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4965 4.6457 -3.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7404 5.4578 -1.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 6.6340 1.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1657 5.3358 2.9128 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7871 9.0506 -0.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7942 9.6899 1.2694 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7299 7.5086 2.4729 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0262 5.5371 -1.4308 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8787 1.7385 -3.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1710 1.7747 -2.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7931 4.0773 -3.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4634 4.0564 -1.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9994 1.2003 0.8392 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6436 2.9027 1.9882 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 6 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 3 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 39 1 1 0 0 0 6 2 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 6 0 0 0 8 10 1 0 0 0 0 8 9 2 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 13 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 7 1 0 0 0 0 13 43 1 1 0 0 0 14 15 1 1 0 0 0 14 4 1 0 0 0 0 15 17 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 14 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 23 1 0 0 0 0 21 22 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 18 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 27 1 0 0 0 0 33 34 2 0 0 0 0 33 53 1 0 0 0 0 34 25 1 0 0 0 0 34 54 1 0 0 0 0 M END $$$$ R_OH_phar_7 OpenBabel05202509243D 54 60 0 0 0 0 0 0 0 0999 V2000 0.2899 7.4544 -2.5363 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6718 8.3361 -1.4933 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1009 8.0345 -0.9778 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0236 6.9064 -0.0114 N 0 0 1 0 0 0 0 0 0 0 0 0 0.5770 6.8809 0.2975 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1685 8.0544 -0.2816 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0326 5.5656 -0.0958 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8850 4.7776 -0.9595 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3397 5.0204 -2.0549 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7388 3.5322 -0.2957 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5116 3.5212 0.3771 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8850 2.9581 1.4067 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1663 4.6354 -0.4012 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3996 5.5337 -0.4606 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9607 5.4182 -1.9484 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6120 5.9843 -2.9668 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8409 4.3475 -1.9582 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0803 3.8948 -0.6772 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4753 4.7413 0.2694 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6650 4.5124 1.6164 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3257 3.3300 1.9765 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5151 2.9435 3.6428 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7766 2.4099 1.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6965 2.7110 -0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9392 3.1538 0.3142 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8673 2.6117 -0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9712 2.0572 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3714 2.4077 1.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3642 1.7202 1.9998 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4399 0.3563 1.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2211 -0.0368 0.6989 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2920 0.8099 -0.4655 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5529 3.2105 2.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2742 3.4846 1.6428 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 7.5065 -2.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5529 9.3673 -1.8423 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4133 8.9036 -0.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8478 7.9292 -1.7614 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5118 6.9527 1.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2190 7.8241 -0.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1318 8.8923 0.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 5.4070 0.8552 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 4.1595 -1.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2259 3.9848 -2.8169 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2357 5.1643 2.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1647 1.4408 1.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0111 2.0022 -1.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6279 2.3939 -1.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3384 0.2755 0.9046 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5362 -0.2887 2.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2157 -1.0793 0.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2733 0.1306 1.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8258 3.4500 3.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5534 3.9459 2.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 6 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 3 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 39 1 1 0 0 0 6 2 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 1 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 7 1 0 0 0 0 13 43 1 6 0 0 0 14 15 1 6 0 0 0 14 4 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 14 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 18 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 27 1 0 0 0 0 33 34 2 0 0 0 0 33 53 1 0 0 0 0 34 25 1 0 0 0 0 34 54 1 0 0 0 0 M END $$$$ R_OH_phar_8 OpenBabel05202509243D 54 60 0 0 0 0 0 0 0 0999 V2000 0.7788 -1.5694 4.5763 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8751 -1.3968 3.1828 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2317 -1.7663 2.5736 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9758 -1.8063 1.1111 N 0 0 1 0 0 0 0 0 0 0 0 0 0.5244 -2.0849 0.9602 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0296 -2.3723 2.3857 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1584 -0.8043 0.3663 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0672 -0.1659 -0.6641 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8124 0.7706 -0.4179 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7775 -0.7356 -1.8878 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5586 -1.1292 -1.8229 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2102 -1.8701 -2.5360 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0288 -0.4146 -0.5736 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2140 -0.5495 0.3539 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0889 0.7578 1.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0756 1.3302 1.6736 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3552 1.1728 1.6040 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2815 0.5448 0.7874 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6553 -0.3778 -0.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3797 -0.9857 -1.0729 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7347 -0.6582 -1.1693 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6718 -1.3183 -2.4540 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3595 0.2189 -0.2572 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6155 0.8400 0.7372 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8651 -1.3246 -2.5846 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1577 -0.7525 -2.5389 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2632 -1.5427 -2.8426 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1023 -2.9143 -3.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1425 -3.8065 -3.0103 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4106 -3.1581 -3.1911 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1893 -1.8898 -3.9984 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4791 -0.9624 -3.1354 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8522 -3.3922 -3.3339 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7248 -2.5955 -3.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3523 -0.7568 4.9178 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5449 -0.3839 2.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1180 -1.1991 2.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4614 -2.7828 2.9327 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4091 -2.9734 0.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2814 -3.4023 2.6825 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -2.2562 2.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9912 -1.5447 0.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0343 0.6468 -0.8864 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5356 1.9805 2.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9098 -1.6707 -1.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4196 0.4305 -0.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0896 1.5457 1.4179 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3092 0.2937 -2.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8685 -2.9379 -2.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0462 -3.8722 -3.7212 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1224 -1.4457 -4.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5755 -2.1053 -4.8915 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7737 -4.3749 -3.7829 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7537 -3.0306 -3.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 6 0 0 0 2 1 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 3 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 39 1 6 0 0 0 6 2 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 6 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 7 1 0 0 0 0 13 43 1 6 0 0 0 14 15 1 1 0 0 0 14 4 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 14 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 18 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 27 1 0 0 0 0 33 34 2 0 0 0 0 33 53 1 0 0 0 0 34 25 1 0 0 0 0 34 54 1 0 0 0 0 M END $$$$ R_OH_phar_9 OpenBabel05202509243D 54 60 0 0 0 0 0 0 0 0999 V2000 4.6734 -1.5259 3.3616 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1328 -2.3744 2.3497 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3304 -1.7601 0.9516 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9990 -1.4220 0.4768 N 0 0 2 0 0 0 0 0 0 0 0 0 2.1159 -1.3522 1.6683 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6215 -2.4781 2.5456 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7921 -1.4392 1.0144 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5111 -1.8658 1.5667 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8312 -1.8866 2.7379 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2317 -2.1274 0.3958 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3775 -2.3431 -0.6853 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6070 -2.5459 -1.8523 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9560 -2.5204 -0.0149 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3184 -2.2342 -0.5803 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2841 -1.3777 -1.8781 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8465 -0.2453 -2.0065 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8780 -2.1394 -2.8747 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0654 -3.4471 -2.4574 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9006 -3.5418 -1.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9418 -4.7824 -0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9158 -5.9176 -1.2663 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6697 -7.4560 -0.5332 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.9530 -5.8097 -2.6649 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0980 -4.5594 -3.2759 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5498 -1.6706 0.2691 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4824 -1.9691 1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7707 -1.4824 1.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0944 -0.6270 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3438 -0.0897 -0.0314 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3144 -1.0601 0.3451 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0051 -1.8405 1.6275 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6622 -1.8374 2.1003 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1402 -0.2477 -0.8551 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8705 -0.8037 -0.7903 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2049 -0.6724 3.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6169 -3.3506 2.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8868 -2.4096 0.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9046 -0.8269 1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -0.3866 2.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3089 -2.3430 3.5846 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2660 -3.4566 2.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5939 -0.4601 0.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9213 -3.5143 0.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5017 -1.6809 -3.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8410 -4.8847 0.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8022 -6.6949 -3.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0508 -4.4681 -4.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2263 -2.5901 2.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4568 -1.7549 -0.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2725 -0.5410 0.4659 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2894 -2.8891 1.4786 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6339 -1.4678 2.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3722 0.4746 -1.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1173 -0.4971 -1.5119 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 1 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 3 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 39 1 1 0 0 0 6 2 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 6 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 7 1 0 0 0 0 13 43 1 1 0 0 0 14 15 1 6 0 0 0 14 4 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 14 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 18 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 27 1 0 0 0 0 33 34 2 0 0 0 0 33 53 1 0 0 0 0 34 25 1 0 0 0 0 34 54 1 0 0 0 0 M END $$$$ R_OH_phar_10 OpenBabel05202509253D 54 60 0 0 0 0 0 0 0 0999 V2000 3.2935 3.1659 -0.7722 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5868 1.8742 -1.2908 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4413 0.7841 -0.2319 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2786 -0.4908 -0.9594 N 0 0 2 0 0 0 0 0 0 0 0 0 2.6542 -0.0758 -2.2859 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5560 1.4496 -2.3056 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3420 -0.8158 -2.3844 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0206 -0.2818 -2.7535 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2319 0.6478 -3.5121 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9309 -1.0502 -2.0151 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2149 -1.8589 -1.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5586 -2.8780 -0.5572 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0370 -1.0721 -0.9277 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3493 -1.4890 -0.3221 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5939 -2.9787 -0.7289 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -3.4144 -1.7921 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0783 -3.7463 0.3169 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7670 -2.9565 1.4157 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1604 -1.6333 1.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1055 -0.7239 2.2272 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4903 -1.1119 3.4218 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3543 0.0290 4.7033 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9408 -2.3920 3.5689 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1125 -3.3486 2.5665 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1564 -0.5343 -1.4895 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2830 0.8398 -1.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1943 1.2917 -0.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0782 0.4017 0.3241 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9549 0.7744 1.3072 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0005 2.1952 1.4863 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6148 2.8097 1.3819 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0935 2.6139 0.0624 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0414 -0.9477 -0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0727 -1.4176 -0.8949 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3490 3.2181 -0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5957 1.8804 -1.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2965 0.7615 0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5492 1.0531 0.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3331 -0.4019 -3.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7646 1.8647 -3.2967 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5619 1.8120 -2.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4892 -1.7387 -2.9639 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7111 -0.1498 -0.4121 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9432 -4.7447 0.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4922 0.2831 2.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3820 -2.6423 4.4672 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6901 -4.3419 2.6703 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5858 1.5627 -1.6626 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4227 2.3887 2.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6777 2.6138 0.7331 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9181 2.3668 2.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6551 3.8867 1.5682 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7059 -1.6488 0.4937 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9910 -2.4911 -1.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 6 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 3 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 39 1 6 0 0 0 6 2 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 6 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 7 1 0 0 0 0 13 43 1 1 0 0 0 14 15 1 6 0 0 0 14 4 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 14 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 18 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 27 1 0 0 0 0 33 34 2 0 0 0 0 33 53 1 0 0 0 0 34 25 1 0 0 0 0 34 54 1 0 0 0 0 M END $$$$ R_OH_phar_11 OpenBabel05202509253D 54 60 0 0 0 0 0 0 0 0999 V2000 -0.9214 -3.8344 -2.2344 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0618 -2.8382 -2.0316 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8424 -3.0273 -0.7306 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4012 -1.7050 -0.5318 N 0 0 1 0 0 0 0 0 0 0 0 0 0.4872 -0.6723 -1.0791 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5896 -1.4836 -1.8121 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0385 0.0366 0.1286 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1801 1.4629 0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 2.4469 -0.0191 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6130 1.2950 1.8503 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2158 0.0008 2.3012 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6927 -0.7288 3.1450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8757 -0.2583 1.3168 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8325 -1.2831 0.8105 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2838 -2.3383 1.8485 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6070 -3.2108 2.3640 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 -2.0981 2.1264 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1722 -1.1312 1.2857 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1677 -0.5716 0.5198 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4446 0.4340 -0.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7679 0.7660 -0.6461 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1411 1.8489 -1.9284 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7867 0.1720 0.1064 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4871 -0.7584 1.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8090 1.9112 2.2158 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0235 1.2945 2.0495 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1414 1.9553 2.4982 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9977 3.0356 3.3835 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0290 3.4853 4.1670 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2679 2.8774 3.7546 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2409 2.8133 2.2377 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3743 1.6938 1.9300 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8128 3.7421 3.3793 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7343 3.2227 2.6852 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4578 -4.6882 -2.2883 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7267 -2.7973 -2.9034 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1782 -3.3531 0.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6286 -3.7790 -0.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9915 -0.0133 -1.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5017 -1.6249 -1.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9029 -1.0101 -2.7465 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0631 -0.3494 0.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5506 0.5546 1.6483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1594 -2.6411 2.7989 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6634 0.9131 -0.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8221 0.4133 -0.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2843 -1.2076 1.6949 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1411 0.3413 1.5021 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0771 3.4993 4.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3574 1.8683 4.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8247 3.7433 1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2234 2.6565 1.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7595 4.7112 3.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8309 3.8100 2.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 6 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 3 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 39 1 6 0 0 0 6 2 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 1 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 7 1 0 0 0 0 13 43 1 1 0 0 0 14 15 1 1 0 0 0 14 4 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 14 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 18 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 27 1 0 0 0 0 33 34 2 0 0 0 0 33 53 1 0 0 0 0 34 25 1 0 0 0 0 34 54 1 0 0 0 0 M END $$$$ R_OH_phar_12 OpenBabel05202509253D 54 60 0 0 0 0 0 0 0 0999 V2000 0.5544 13.1145 2.8989 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4722 13.7217 1.5996 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7874 13.4108 0.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3524 12.3927 -0.1299 N 0 0 2 0 0 0 0 0 0 0 0 0 0.1740 11.7665 0.4641 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6106 13.0093 0.7721 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1520 10.8282 -0.6157 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4781 9.4080 -0.4592 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4514 8.7275 0.5551 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4836 9.0019 -1.8054 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3187 9.9329 -2.5308 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2488 10.3027 -3.6772 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 10.4444 -1.3550 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1975 11.2877 -0.6327 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4021 11.7019 -1.4717 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4149 12.2525 -2.5660 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5505 11.3090 -0.7681 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2422 10.7055 0.4376 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8712 10.5594 0.5552 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3525 9.9322 1.6947 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2033 9.6167 2.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5240 9.0543 4.2362 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5730 9.8093 2.6314 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1141 10.3191 1.4415 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6312 8.2812 -2.1026 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6108 6.9988 -1.5266 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7821 6.4288 -1.0834 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0017 7.0943 -1.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1871 6.5400 -0.8129 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0559 5.1750 -0.3642 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8315 4.4761 -0.9383 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6732 5.1881 -0.5191 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0370 8.3519 -1.8251 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8520 8.9400 -2.2904 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3401 13.0706 3.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2846 14.7877 1.7344 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5865 13.0894 1.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1076 14.2973 0.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 11.2370 1.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5305 12.7931 1.3201 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8575 13.5852 -0.1328 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9433 11.2911 -1.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6424 9.4662 -1.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4834 11.4709 -1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3003 9.7265 1.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2217 9.5798 3.4797 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1837 10.4561 1.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6672 6.5117 -1.2774 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9558 4.6417 -0.6818 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0200 5.1772 0.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8481 4.4568 -2.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7398 3.4467 -0.5869 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9768 8.8929 -1.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8702 9.9600 -2.6621 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 1 0 0 0 2 1 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 3 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 39 1 1 0 0 0 6 2 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 6 0 0 0 8 10 1 0 0 0 0 8 9 2 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 13 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 7 1 0 0 0 0 13 43 1 1 0 0 0 14 15 1 6 0 0 0 14 4 1 0 0 0 0 15 17 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 14 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 23 1 0 0 0 0 21 22 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 18 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 27 1 0 0 0 0 33 34 2 0 0 0 0 33 53 1 0 0 0 0 34 25 1 0 0 0 0 34 54 1 0 0 0 0 M END $$$$ R_OH_phar_13 OpenBabel05202509253D 54 60 0 0 0 0 0 0 0 0999 V2000 0.4381 17.4219 2.2948 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3344 16.4454 1.2919 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1970 16.9674 -0.1394 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 15.8038 -0.9290 N 0 0 2 0 0 0 0 0 0 0 0 0 -0.8088 14.8327 0.0722 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9436 15.6468 1.3605 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3473 13.7591 0.1683 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4460 12.2619 0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3639 11.6733 0.7728 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5396 11.7506 -0.5606 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7479 12.6744 -1.5921 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6612 12.7749 -2.3644 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4569 13.5891 -1.3717 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6842 15.0257 -1.7598 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6053 15.5068 -3.2401 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1574 15.1506 -4.1199 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6021 16.4952 -3.3727 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4900 16.4592 -2.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1369 15.4230 -1.4444 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9566 15.0632 -0.3769 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9729 15.9384 -0.0241 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8160 15.6713 1.4523 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2218 17.0864 -0.7902 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 17.3196 -1.9855 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4667 10.9711 0.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8005 11.3474 0.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6912 10.4399 0.6994 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2333 9.2193 1.2194 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0415 8.1088 1.0383 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4904 8.2714 -0.3275 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4456 9.4716 -0.3913 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0084 10.6106 0.3744 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8936 8.9756 1.4528 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 9.8550 0.8638 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9111 16.9982 3.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1995 15.7837 1.3953 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0944 17.4791 -0.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5715 17.7508 -0.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7889 14.4377 -0.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8168 16.3144 1.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0441 15.0470 2.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0985 13.5020 1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3283 13.0124 -1.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7066 17.0584 -4.2085 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7587 14.2026 0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9447 17.8147 -0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7111 18.2150 -2.5658 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1735 12.2525 -0.2904 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9608 7.3518 -0.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6181 8.4345 -0.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4231 9.1842 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5658 9.8056 -1.4275 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5493 8.0417 1.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0593 9.6068 0.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 1 0 0 0 2 1 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 3 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 39 1 6 0 0 0 6 2 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 1 0 0 0 8 10 1 0 0 0 0 8 9 2 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 13 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 7 1 0 0 0 0 13 43 1 6 0 0 0 14 15 1 6 0 0 0 14 4 1 0 0 0 0 15 17 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 14 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 23 1 0 0 0 0 21 22 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 18 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 27 1 0 0 0 0 33 34 2 0 0 0 0 33 53 1 0 0 0 0 34 25 1 0 0 0 0 34 54 1 0 0 0 0 M END $$$$ R_OH_phar_14 OpenBabel05202509253D 54 60 0 0 0 0 0 0 0 0999 V2000 2.0755 2.4239 4.4055 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7597 2.7839 3.0831 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8667 2.5351 2.0664 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0967 2.6471 0.8527 N 0 0 1 0 0 0 0 0 0 0 0 0 0.6542 2.5831 1.0598 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6064 1.9606 2.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4253 2.1300 -0.3809 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7843 2.2142 -1.2045 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 1.4250 -2.1160 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2771 3.4767 -1.0582 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1914 4.3205 -0.8757 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1709 5.4936 -0.5340 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0567 3.3935 -1.0759 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4033 3.3977 -0.3676 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2656 4.6309 -0.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9199 5.6615 0.5467 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6002 4.2488 -0.2663 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6682 3.0278 -0.9294 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3885 2.5524 -1.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1641 1.4187 -1.9441 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2596 0.6930 -2.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0119 -0.7580 -3.2639 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.5529 1.1053 -2.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 2.3059 -1.3253 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6350 3.5477 -0.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3426 2.3299 -0.6171 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2195 2.0764 0.4064 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7629 3.1121 1.1462 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5782 2.8753 2.2228 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4107 1.5403 2.7582 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1113 0.8949 2.2972 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2180 0.7747 0.8685 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3038 4.4084 0.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1696 4.6160 0.1119 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1634 3.2640 4.8989 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5155 3.8589 3.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2421 1.5060 2.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7279 3.1963 2.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2299 3.5789 1.2411 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8197 0.8865 2.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3317 2.1437 2.9733 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8871 1.1576 -0.5763 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1742 3.3108 -2.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3895 4.8202 -0.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1699 1.0816 -2.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4036 0.4890 -2.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7784 2.6179 -1.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0291 1.4612 -1.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4237 1.6271 3.8471 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2617 0.9262 2.4395 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9481 -0.0943 2.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2324 1.5098 2.5605 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7087 5.2214 1.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6714 5.5819 0.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 6 0 0 0 2 1 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 3 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 39 1 1 0 0 0 6 2 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 6 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 7 1 0 0 0 0 13 43 1 6 0 0 0 14 15 1 1 0 0 0 14 4 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 14 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 18 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 27 1 0 0 0 0 33 34 2 0 0 0 0 33 53 1 0 0 0 0 34 25 1 0 0 0 0 34 54 1 0 0 0 0 M END $$$$ R_OH_phar_15 OpenBabel05202509253D 54 60 0 0 0 0 0 0 0 0999 V2000 1.9658 0.9482 -3.4721 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3322 2.1605 -2.8413 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8504 1.9502 -1.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8484 3.3225 -0.8961 N 0 0 1 0 0 0 0 0 0 0 0 0 1.6119 4.0136 -1.4566 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1218 3.0636 -2.5603 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8704 4.5334 -0.1929 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4845 4.7466 0.3458 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8059 5.7179 1.0277 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0571 3.5243 0.3657 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 2.5844 0.4189 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0433 1.3941 0.1709 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2004 3.4546 0.8334 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6862 3.3080 0.5688 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4040 2.2608 1.4089 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5094 1.0674 1.2083 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8798 2.9122 2.5575 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6609 4.2851 2.4724 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3442 4.6262 1.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1447 5.9681 0.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7169 6.8093 1.8637 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9465 8.3002 1.4665 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.7403 6.3670 3.1909 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3145 5.1261 3.5107 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2807 3.5376 -0.2893 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 2.8393 -1.4533 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6978 2.9059 -2.0271 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6727 3.8540 -1.6527 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9844 3.7197 -2.0395 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3217 2.3256 -2.2363 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2341 1.3806 -1.7393 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0943 1.6943 -2.5601 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4221 4.7262 -0.6158 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2717 4.4899 0.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7206 0.3358 -3.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0842 2.6684 -3.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8478 1.4983 -1.4214 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1777 1.2584 -0.9123 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9726 4.9052 -1.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8493 3.6015 -3.4749 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2741 2.4432 -2.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2199 5.5401 -0.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0163 3.6953 1.8884 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8049 2.5946 2.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0357 6.2858 -0.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2640 6.9634 3.9663 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3033 4.7702 4.5341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7212 2.1380 -1.8292 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2604 2.1367 -1.7134 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4607 2.1799 -3.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0060 1.5419 -0.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4706 0.3235 -1.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1719 5.4323 -0.2753 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1375 5.0569 1.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 6 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 3 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 39 1 6 0 0 0 6 2 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 1 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 7 1 0 0 0 0 13 43 1 1 0 0 0 14 15 1 1 0 0 0 14 4 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 14 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 18 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 27 1 0 0 0 0 33 34 2 0 0 0 0 33 53 1 0 0 0 0 34 25 1 0 0 0 0 34 54 1 0 0 0 0 M END $$$$ R_OH_phar_16 OpenBabel05202509263D 54 60 0 0 0 0 0 0 0 0999 V2000 4.0641 1.0580 -2.0987 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0193 1.6134 -1.3287 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7672 3.0853 -1.6356 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3855 3.3382 -1.1888 N 0 0 1 0 0 0 0 0 0 0 0 0 0.6948 2.0409 -1.1675 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6761 1.0152 -1.6989 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1506 1.8685 0.2212 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8638 1.1042 1.2958 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6575 0.1898 1.1594 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3869 1.6439 2.4739 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3182 3.0145 2.2892 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3121 3.8767 3.1564 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1124 3.2582 0.8387 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1435 4.0751 0.1018 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4931 4.4653 0.7818 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1982 3.7535 1.4816 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8217 5.7341 0.2672 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7382 6.2881 -0.4212 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6453 5.4344 -0.3209 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6203 5.8199 -0.7323 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7287 7.0196 -1.4196 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2712 7.5044 -2.0054 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4098 7.8002 -1.6823 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6618 7.4543 -1.1484 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7479 0.9676 3.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6812 -0.4123 3.2109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7089 -1.0353 3.8986 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9018 -0.3701 4.2106 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8856 -0.9319 4.9841 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4243 -2.0818 5.7216 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9064 -2.1306 5.8242 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4002 -2.2409 4.4839 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0422 0.9664 3.8814 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9404 1.6491 3.3594 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2721 0.1986 -1.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2528 1.4890 -0.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 3.2485 -2.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5568 3.7283 -1.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1612 2.1155 -1.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5260 -0.0029 -1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5930 0.9669 -2.7939 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8585 1.4368 0.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9086 3.6371 0.7286 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7117 6.1877 0.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4918 5.1931 -0.5803 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3157 8.6793 -2.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5354 8.0596 -1.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2101 -0.9825 2.9614 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8000 -2.9782 5.2151 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8657 -2.0278 6.7217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -1.2193 6.2975 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5489 -2.9813 6.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9540 1.5008 4.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0403 2.7242 3.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 1 0 0 0 2 1 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 3 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 39 1 6 0 0 0 6 2 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 6 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 7 1 0 0 0 0 13 43 1 6 0 0 0 14 15 1 1 0 0 0 14 4 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 14 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 18 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 27 1 0 0 0 0 33 34 2 0 0 0 0 33 53 1 0 0 0 0 34 25 1 0 0 0 0 34 54 1 0 0 0 0 M END $$$$ R_OH_phar_17 OpenBabel05202509263D 54 60 0 0 0 0 0 0 0 0999 V2000 1.9873 -1.5097 -0.0913 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0961 -0.6568 0.6018 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8092 0.5402 1.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8548 1.0993 2.2118 N 0 0 2 0 0 0 0 0 0 0 0 0 0.0046 -0.0760 2.6409 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4813 -1.2852 1.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4365 0.3910 2.6753 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6913 -0.1784 2.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9408 -1.3658 1.9017 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4185 0.8930 1.5621 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4782 1.7202 1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5509 2.3598 -0.0132 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4231 1.7972 2.0836 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0265 2.1613 1.6730 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1135 2.5573 0.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2462 1.8251 -0.8145 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 3.9408 0.0808 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0078 4.5171 1.3371 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1724 3.5344 2.3176 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2214 3.8835 3.6622 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0636 5.2316 3.9882 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0598 5.7047 5.6430 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.1448 6.2038 2.9924 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1655 5.8482 1.6411 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4058 1.5840 2.3799 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9495 1.0627 3.5753 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8958 1.8326 4.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4307 2.9892 3.7114 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5317 3.6208 4.2055 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5688 3.5964 5.6263 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4524 2.7667 6.2644 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2460 1.5152 5.5679 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8141 3.5874 2.6408 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7731 2.9128 2.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2210 -1.0618 -0.9114 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2904 -0.3788 -0.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2174 1.2545 0.5119 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6934 0.1876 1.7858 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2727 -0.2852 3.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2690 -2.0508 1.6305 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2856 -1.7925 2.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7197 0.4554 3.7387 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8236 2.4584 2.8688 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0639 4.4276 -0.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3085 3.1237 4.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3014 7.2428 3.2723 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3492 6.5879 0.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6008 0.1311 3.9908 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4788 4.6445 5.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5551 3.2459 5.9466 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5126 3.3413 6.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6812 2.5717 7.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1164 4.5801 2.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2635 3.4609 1.2255 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 6 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 3 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 39 1 1 0 0 0 6 2 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 1 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 7 1 0 0 0 0 13 43 1 1 0 0 0 14 15 1 6 0 0 0 14 4 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 14 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 18 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 27 1 0 0 0 0 33 34 2 0 0 0 0 33 53 1 0 0 0 0 34 25 1 0 0 0 0 34 54 1 0 0 0 0 M END $$$$ R_OH_phar_18 OpenBabel05202509263D 54 60 0 0 0 0 0 0 0 0999 V2000 -0.3796 2.0620 1.2791 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0095 2.1797 -0.0648 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7630 3.2564 -0.8297 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0667 3.2147 -2.1123 N 0 0 2 0 0 0 0 0 0 0 0 0 1.3153 2.6978 -1.8649 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4548 2.6551 -0.3524 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1638 3.2394 -2.9822 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5132 3.9215 -3.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4648 3.6792 -2.3036 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4668 4.7977 -4.1228 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2381 5.3796 -3.9586 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0025 6.5743 -3.9376 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2849 4.2376 -3.7166 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0044 4.4131 -2.9378 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0900 5.8281 -2.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4439 6.2046 -1.2437 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8174 6.6219 -3.1702 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3543 5.8659 -4.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0753 4.5176 -3.9884 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5507 3.5335 -4.8484 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2360 3.9456 -5.9862 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7775 2.7710 -7.1274 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.4326 5.3100 -6.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0015 6.2924 -5.3401 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6810 4.1416 -5.4131 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7784 4.2176 -6.5071 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8224 3.2183 -7.4857 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6825 2.1283 -7.3355 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6061 1.0107 -8.1080 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1882 1.2907 -9.4447 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8576 2.7624 -9.6928 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0538 3.3082 -8.6240 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6805 2.1676 -6.3919 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7300 3.2138 -5.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2004 1.5015 1.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1461 1.1956 -0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6667 4.2038 -0.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8282 3.0313 -0.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2640 1.6261 -2.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6541 3.6283 0.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1984 1.9399 0.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3117 2.3801 -3.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0582 3.7921 -4.6941 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8922 7.6293 -3.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3260 2.4814 -4.6763 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9137 5.6156 -7.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1383 7.3484 -5.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0107 4.9809 -6.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0280 0.9877 -10.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3393 0.6455 -9.6937 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7876 3.3470 -9.7617 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3395 2.8826 -10.6485 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4322 1.3814 -6.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5441 3.2469 -4.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 6 0 0 0 2 1 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 3 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 39 1 6 0 0 0 6 2 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 6 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 7 1 0 0 0 0 13 43 1 6 0 0 0 14 15 1 1 0 0 0 14 4 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 14 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 18 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 27 1 0 0 0 0 33 34 2 0 0 0 0 33 53 1 0 0 0 0 34 25 1 0 0 0 0 34 54 1 0 0 0 0 M END $$$$ R_OH_phar_19 OpenBabel05202509263D 54 60 0 0 0 0 0 0 0 0999 V2000 1.1342 2.0110 -1.6097 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8185 2.9612 -2.4201 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9285 3.7043 -1.6842 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2887 4.7286 -0.8432 N 0 0 1 0 0 0 0 0 0 0 0 0 1.0999 5.1374 -1.6321 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8763 4.0957 -2.7517 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0618 5.0876 -0.6956 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3908 6.3621 0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1006 7.4849 -0.3734 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2127 5.9562 1.0471 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7466 4.7169 1.4665 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1552 4.0592 2.4217 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2997 4.1931 0.4768 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8176 4.4241 0.5751 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1703 5.7301 1.4476 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9699 6.9034 1.1968 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9007 5.3478 2.5494 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3855 4.0785 2.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7017 3.4253 1.3283 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1503 2.1713 0.9396 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4538 1.8120 1.3104 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2593 0.5827 0.4093 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.1703 2.5488 2.2586 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5840 3.6429 2.8813 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6163 6.2452 0.7586 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8497 7.4706 0.1126 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6086 7.4147 -1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5247 6.3884 -1.2672 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1821 6.2637 -2.4658 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4085 6.7883 -3.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9910 7.1843 -3.1729 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1112 8.1445 -2.1045 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5789 5.3209 -0.3766 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5580 5.2030 0.5819 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5866 1.1540 -1.7142 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1672 2.4503 -3.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6558 3.0638 -1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5164 4.2452 -2.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2545 6.1274 -2.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1514 4.5352 -3.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1615 3.7480 -2.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9871 4.7799 -1.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0526 3.1561 0.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3380 6.0524 3.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6425 1.6079 0.1767 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2132 2.3196 2.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1314 4.2408 3.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1483 8.2925 0.2387 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3819 6.0077 -4.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9358 7.6584 -3.9733 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4098 6.3072 -2.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4325 7.6225 -4.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2529 4.4925 -0.5794 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4166 4.2271 1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 6 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 3 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 39 1 6 0 0 0 6 2 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 6 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 7 1 0 0 0 0 13 43 1 6 0 0 0 14 15 1 1 0 0 0 14 4 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 14 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 18 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 27 1 0 0 0 0 33 34 2 0 0 0 0 33 53 1 0 0 0 0 34 25 1 0 0 0 0 34 54 1 0 0 0 0 M END $$$$ R_OH_phar_20 OpenBabel05202509263D 54 60 0 0 0 0 0 0 0 0999 V2000 2.3666 3.4267 3.8782 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6999 3.7782 2.5420 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0551 2.5568 1.6513 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7808 1.8831 1.3534 N 0 0 1 0 0 0 0 0 0 0 0 0 0.7609 2.9349 1.5498 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4874 4.2637 1.8059 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0413 3.0697 0.2673 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2536 2.3455 0.2147 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8678 1.8438 1.1369 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6198 2.4771 -1.0955 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4373 2.2480 -1.7996 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3122 2.1019 -3.0069 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7930 2.3417 -0.8299 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5100 1.2389 0.0211 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5706 -0.0299 0.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2195 -0.2910 1.0900 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8494 -0.8866 -0.8560 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1197 -0.6158 -1.3396 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6426 0.5219 -0.7058 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0198 0.6855 -0.7237 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8039 -0.1945 -1.4839 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5197 -0.0388 -1.4467 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2261 -1.2248 -2.2365 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8589 -1.4662 -2.1413 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4818 3.6573 -1.2721 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2369 4.0078 -0.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1629 5.3192 0.3047 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9918 6.3484 -0.6052 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9139 7.6632 -0.2019 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4043 7.7877 1.1479 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7361 6.5006 1.6035 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7750 5.4970 1.6256 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6084 6.0278 -1.8974 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2215 4.6975 -2.1932 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5467 3.8687 4.1403 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4976 4.5322 2.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5074 2.9679 0.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7467 1.8855 2.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1222 2.6864 2.4059 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8632 4.9707 2.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8007 4.7491 0.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1280 4.1212 -0.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5384 3.0057 -1.2887 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4173 -1.7998 -0.9017 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5287 1.4201 -0.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8492 -1.8753 -2.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4097 -2.3206 -2.6359 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4994 3.2611 0.6239 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2283 8.0377 1.8274 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6868 8.6125 1.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9332 6.2042 0.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2723 6.5785 2.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3988 6.8357 -2.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6203 4.5274 -3.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 6 0 0 0 2 1 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 3 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 39 1 1 0 0 0 6 2 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 6 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 7 1 0 0 0 0 13 43 1 6 0 0 0 14 15 1 1 0 0 0 14 4 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 14 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 18 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 27 1 0 0 0 0 33 34 2 0 0 0 0 33 53 1 0 0 0 0 34 25 1 0 0 0 0 34 54 1 0 0 0 0 M END $$$$ R_OH_phar_21 OpenBabel05202509263D 54 60 0 0 0 0 0 0 0 0999 V2000 -1.3451 -14.9058 -0.9475 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0062 -13.5742 -0.6129 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1017 -13.2555 0.8683 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1011 -11.7603 0.9935 N 0 0 2 0 0 0 0 0 0 0 0 0 -1.7858 -11.3608 -0.2849 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0050 -12.5857 -1.1672 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7983 -10.4413 -0.8677 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2552 -9.2838 -1.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2461 -9.2785 -2.3782 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2439 -8.3633 -1.5026 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4155 -8.6025 -0.3124 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2383 -7.8531 0.1862 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2303 -9.8180 0.3716 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4370 -11.0467 1.0999 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7492 -12.0587 2.3906 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4884 -13.0335 2.3497 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0612 -11.5825 3.5341 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1664 -10.1961 3.4053 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8414 -9.9812 2.2255 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9267 -9.1125 2.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9511 -8.1569 3.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1816 -6.9545 3.2978 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9805 -8.1723 4.3016 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1198 -9.2666 4.4196 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2669 -7.5401 -2.5444 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4066 -7.4531 -3.7665 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2961 -7.1047 -4.9145 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6650 -6.8328 -4.8516 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 -6.7293 -5.9608 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7769 -7.2506 -7.1087 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3892 -6.6339 -7.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4076 -7.1346 -6.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2805 -6.7021 -3.6193 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5742 -7.0248 -2.4695 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0911 -15.1933 -0.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 -13.3703 -0.9896 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0801 -13.5956 1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3973 -13.8421 1.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7431 -10.8724 -0.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0241 -12.9731 -1.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8581 -12.4028 -2.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0206 -10.9603 -1.4526 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0444 -9.3560 0.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9110 -11.8701 3.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6905 -9.1051 1.4978 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9664 -7.3851 5.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4880 -9.4102 5.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4488 -7.7287 -3.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3629 -6.9889 -7.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7312 -8.3471 -7.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1118 -6.8984 -8.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4343 -5.5408 -7.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3350 -6.4338 -3.5534 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1315 -6.9630 -1.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 6 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 3 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 39 1 1 0 0 0 6 2 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 6 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 7 1 0 0 0 0 13 43 1 1 0 0 0 14 15 1 6 0 0 0 14 4 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 14 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 18 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 27 1 0 0 0 0 33 34 2 0 0 0 0 33 53 1 0 0 0 0 34 25 1 0 0 0 0 34 54 1 0 0 0 0 M END $$$$ R_OH_phar_22 OpenBabel05202509263D 54 60 0 0 0 0 0 0 0 0999 V2000 2.1266 10.2342 2.2457 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8709 9.8949 0.8956 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9396 8.9126 0.3841 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2353 7.7218 -0.0469 N 0 0 2 0 0 0 0 0 0 0 0 0 0.9212 8.2158 -0.4698 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5921 9.0979 0.7373 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1388 6.9781 -0.5487 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4374 6.2786 -1.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2709 6.4765 -2.9065 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9078 5.1451 -1.0550 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 4.8191 -0.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0732 3.9405 0.8052 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0989 5.8366 -0.2577 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0681 6.4696 0.7528 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3476 6.2244 2.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2814 6.6526 2.5316 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9613 5.0927 2.6634 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9866 4.6388 1.8461 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2615 5.5702 0.8515 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3014 5.4043 -0.0395 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8981 4.1492 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0657 3.8070 -1.2828 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4799 3.1283 0.8086 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5517 3.3861 1.8244 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2867 5.1887 -0.7901 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0815 4.8403 -1.8461 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1772 4.1333 -1.4339 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8074 4.3834 -0.1983 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7595 3.5220 0.2997 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5244 2.1783 -0.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1107 2.0070 -0.7215 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1105 2.8216 -1.9131 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1816 5.1954 0.7292 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8346 5.4494 0.4934 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3617 10.7052 2.5732 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8012 10.7933 0.2785 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3499 9.3624 -0.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 8.7217 1.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9460 8.7742 -1.4118 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3319 9.6725 0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4544 8.5527 1.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6736 7.0893 0.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6702 5.4543 -1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5121 4.5615 3.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5528 6.1758 -0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8508 2.1162 0.6701 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2033 2.5957 2.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6455 4.6671 -2.8272 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7184 1.4873 0.6467 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2371 1.9961 -0.9954 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8549 0.9831 -0.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3365 2.3431 -0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6156 5.3646 1.7098 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2167 5.7820 1.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 6 0 0 0 2 1 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 3 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 39 1 6 0 0 0 6 2 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 1 0 0 0 8 10 1 0 0 0 0 8 9 2 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 13 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 7 1 0 0 0 0 13 43 1 6 0 0 0 14 15 1 1 0 0 0 14 4 1 0 0 0 0 15 17 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 14 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 23 1 0 0 0 0 21 22 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 18 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 27 1 0 0 0 0 33 34 2 0 0 0 0 33 53 1 0 0 0 0 34 25 1 0 0 0 0 34 54 1 0 0 0 0 M END $$$$ R_OH_phar_23 OpenBabel05202509263D 54 60 0 0 0 0 0 0 0 0999 V2000 1.8443 7.3791 -2.5015 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8718 7.7111 -1.5199 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4536 7.8881 -0.1009 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9608 6.7905 0.7307 N 0 0 1 0 0 0 0 0 0 0 0 0 -0.1757 6.2057 0.0265 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1757 6.6025 -1.4326 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2563 4.7912 0.5085 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1715 3.3944 0.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 2.9714 -0.9807 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4233 2.7129 1.2674 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0466 3.5671 2.3168 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2960 3.6764 3.4708 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9086 4.5267 1.4695 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8430 5.6787 1.1294 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8297 6.0432 2.2726 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5548 6.4463 3.3896 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1319 5.7972 1.8010 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1291 5.3548 0.4868 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8409 5.2498 0.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6303 4.7650 -1.2739 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7181 4.4329 -2.0769 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4482 3.8746 -3.6839 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.0192 4.5699 -1.5918 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2391 5.0268 -0.2858 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5547 1.8480 1.2127 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8596 1.3972 -0.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1744 1.4408 -0.4397 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1709 1.1939 0.4899 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4811 1.0669 0.0994 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6489 1.4711 -1.2874 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7394 2.6550 -1.5557 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4231 2.0760 -1.6419 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8329 1.2695 1.8385 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5385 1.7195 2.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6735 7.1358 -2.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4056 8.6436 -1.8552 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5409 8.0126 -0.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0239 8.8060 0.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0490 6.7243 0.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0165 5.7790 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1589 7.0265 -1.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2582 4.8138 0.9869 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6493 3.7176 1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9355 5.9546 2.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6453 4.6540 -1.7033 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8585 4.3164 -2.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2474 5.1177 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1343 1.3945 -0.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6929 1.7273 -1.4467 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3804 0.6304 -1.9535 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7783 3.4007 -0.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9547 3.1820 -2.4884 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6135 1.1608 2.5852 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3737 2.0587 3.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 6 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 3 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 39 1 1 0 0 0 6 2 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 1 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 7 1 0 0 0 0 13 43 1 6 0 0 0 14 15 1 1 0 0 0 14 4 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 14 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 18 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 27 1 0 0 0 0 33 34 2 0 0 0 0 33 53 1 0 0 0 0 34 25 1 0 0 0 0 34 54 1 0 0 0 0 M END $$$$ R_OH_phar_24 OpenBabel05202509263D 54 60 0 0 0 0 0 0 0 0999 V2000 2.5646 -2.8797 -1.3324 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9673 -1.6662 -0.9238 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4139 -0.4344 -1.7343 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3753 0.6074 -1.5304 N 0 0 1 0 0 0 0 0 0 0 0 0 0.1763 -0.1776 -1.2315 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4832 -1.6607 -1.1731 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4679 0.4746 -0.0687 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6866 0.1491 1.3517 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0337 -0.5987 2.0579 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5273 1.2336 1.7089 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0884 2.3397 0.8842 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6728 3.3454 0.5381 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2424 1.7539 0.3458 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5308 1.6760 -0.4523 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9543 3.0209 -1.1021 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2459 3.8119 -1.7015 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3327 3.1568 -0.8978 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8369 2.1507 -0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7892 1.3753 0.3923 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0359 0.3748 1.3287 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3605 0.0240 1.5797 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6881 -1.3690 2.5372 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4159 0.7281 0.9845 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1555 1.8505 0.1848 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8819 0.7828 1.9333 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9678 -0.5663 2.2828 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6409 -1.3131 1.3596 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8181 -0.8337 0.7991 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5648 -1.5836 -0.0744 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7795 -2.6619 -0.6416 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3267 -2.2281 -0.7347 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8509 -2.2148 0.6324 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0667 0.5363 0.9057 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0145 1.3710 1.3486 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3981 -3.5251 -0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1424 -1.5596 0.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4487 -0.1431 -1.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 -0.7096 -2.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4923 -0.0389 -2.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2770 -2.1282 -2.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 -2.2200 -0.4276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4854 0.6276 -0.4775 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7199 1.8171 1.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8633 3.9257 -1.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2398 -0.2070 1.7688 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4387 0.3889 1.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9714 2.4002 -0.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1494 -1.0548 2.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8613 -3.5533 -0.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1879 -2.8928 -1.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7066 -2.9085 -1.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2268 -1.2258 -1.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9452 0.9502 0.4222 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0475 2.4221 1.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 1 0 0 0 2 1 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 3 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 39 1 6 0 0 0 6 2 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 6 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 7 1 0 0 0 0 13 43 1 1 0 0 0 14 15 1 6 0 0 0 14 4 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 14 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 18 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 27 1 0 0 0 0 33 34 2 0 0 0 0 33 53 1 0 0 0 0 34 25 1 0 0 0 0 34 54 1 0 0 0 0 M END $$$$ R_OH_phar_25 OpenBabel05202509273D 54 60 0 0 0 0 0 0 0 0999 V2000 -2.6584 20.3795 1.8257 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4104 19.9926 2.4105 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2465 20.6484 1.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0811 19.8026 0.4318 N 0 0 2 0 0 0 0 0 0 0 0 0 -0.6932 18.5261 0.7686 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1391 18.5064 2.2005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1423 17.4788 0.1376 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8526 16.2136 0.4032 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2873 15.7852 1.4539 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 15.8293 -0.9373 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2449 17.0474 -1.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0349 17.2657 -2.8839 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3377 18.0951 -0.5746 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2653 19.5533 -0.1554 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3689 19.7290 0.9907 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5377 19.0205 1.9746 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0734 20.8800 0.7112 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6684 21.4320 -0.4902 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6862 20.6402 -1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 20.9797 -2.3474 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6822 22.1590 -2.9314 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0928 22.6390 -4.4760 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6255 22.9739 -2.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1450 22.5992 -1.0402 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 14.7265 -1.2978 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5349 13.5277 -0.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5579 12.7938 -0.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8425 13.3453 -0.2202 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9088 12.8342 0.4820 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5625 11.6080 1.1561 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6136 10.8309 0.2607 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3490 11.5212 0.3141 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0778 14.4171 -1.0641 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0016 15.0293 -1.7115 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3643 19.8544 2.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4275 20.2701 3.4662 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4654 21.6811 1.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6145 20.6358 2.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6356 18.5567 0.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0434 17.8964 2.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3537 18.1394 2.8651 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6356 17.1531 -0.5718 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3427 17.7996 -0.2151 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7826 21.2358 1.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4642 20.3646 -2.8485 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9496 23.9075 -2.7319 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8734 23.2181 -0.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5355 13.2379 -0.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4892 11.0568 1.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0988 11.8372 2.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4732 9.7982 0.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9782 10.8132 -0.7797 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0907 14.7848 -1.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2079 15.8910 -2.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 1 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 3 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 39 1 6 0 0 0 6 2 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 6 0 0 0 8 10 1 0 0 0 0 8 9 2 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 13 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 7 1 0 0 0 0 13 43 1 1 0 0 0 14 15 1 1 0 0 0 14 4 1 0 0 0 0 15 17 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 14 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 23 1 0 0 0 0 21 22 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 18 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 27 1 0 0 0 0 33 34 2 0 0 0 0 33 53 1 0 0 0 0 34 25 1 0 0 0 0 34 54 1 0 0 0 0 M END $$$$ R_OH_phar_26 OpenBabel05202509273D 54 60 0 0 0 0 0 0 0 0999 V2000 2.1906 4.5632 4.9823 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9425 4.9137 3.6366 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0027 4.3824 2.6397 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3169 4.3713 1.3227 N 0 0 2 0 0 0 0 0 0 0 0 0 0.8872 4.4456 1.6577 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6684 4.2636 3.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1386 3.6453 0.6701 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7903 2.4966 0.6413 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9398 1.6195 1.4704 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0897 2.4865 -0.7418 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1145 2.9194 -1.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2845 3.3658 -2.5079 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1039 2.8904 -0.2133 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4727 3.2162 0.4140 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8663 1.8593 1.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4291 1.4243 2.2004 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6540 1.1535 0.2581 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9269 1.9141 -0.8648 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4799 3.2327 -0.6904 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7106 4.2030 -1.6429 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1884 3.7597 -2.8738 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3606 4.8817 -4.1650 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4620 2.3939 -3.1078 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3923 1.4586 -2.0716 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4083 3.0440 -1.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2579 3.1497 0.1227 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9064 4.3479 0.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9773 5.2677 -0.7039 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1889 6.5999 -0.4255 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4362 6.8493 0.7786 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0935 6.0734 1.9145 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1811 4.6610 1.6454 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5294 4.9413 -1.9799 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6722 3.8430 -2.1188 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3312 4.5030 5.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8686 6.0082 3.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8807 5.0355 2.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3457 3.4105 3.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6334 5.5002 1.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2295 4.7880 3.4744 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5894 3.2156 3.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3934 4.4553 0.1331 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1099 1.7833 -0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9246 0.1980 0.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4382 5.2398 -1.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6849 2.0544 -4.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5662 0.4036 -2.2528 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1502 2.4932 0.9866 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3897 6.5278 0.6348 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4122 7.9235 0.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1073 6.4421 2.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5111 6.1962 2.8354 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6597 5.6472 -2.7948 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1092 3.7431 -3.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 6 0 0 0 2 1 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 3 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 39 1 6 0 0 0 6 2 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 6 0 0 0 8 10 1 0 0 0 0 8 9 2 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 13 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 7 1 0 0 0 0 13 43 1 1 0 0 0 14 15 1 1 0 0 0 14 4 1 0 0 0 0 15 17 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 14 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 23 1 0 0 0 0 21 22 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 18 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 27 1 0 0 0 0 33 34 2 0 0 0 0 33 53 1 0 0 0 0 34 25 1 0 0 0 0 34 54 1 0 0 0 0 M END $$$$ R_OH_phar_27 OpenBabel05202509273D 54 60 0 0 0 0 0 0 0 0999 V2000 2.8173 13.1838 0.6242 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6319 11.9094 1.1909 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1313 10.7553 0.3086 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6124 9.6442 1.0829 N 0 0 1 0 0 0 0 0 0 0 0 0 1.2270 10.0661 1.5238 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1569 11.5714 1.3376 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3586 9.2396 0.6405 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3967 8.1799 -0.1089 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4066 7.9870 -1.3169 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9696 7.3484 0.7498 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0645 6.9781 1.5349 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0745 6.1440 2.4113 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1839 7.9808 1.2406 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5076 8.2513 0.5334 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6388 7.3263 1.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0811 7.2629 2.2197 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 6.5171 0.0235 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4077 6.8632 -1.1591 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6138 7.9908 -0.9792 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0356 8.5782 -2.1094 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0304 7.8761 -3.3247 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0263 8.4338 -4.6013 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.7453 6.6938 -3.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5128 6.2110 -2.3754 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2902 7.7313 0.9831 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0571 7.6854 -0.1783 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4056 7.7268 -0.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9940 8.2076 1.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3254 7.9757 1.3876 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7890 6.7856 0.6917 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6444 5.9325 0.1598 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0307 6.7810 -0.8240 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1862 8.6149 2.1922 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8248 8.2657 2.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7607 13.3929 0.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1110 11.8810 2.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2157 10.7453 0.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6825 10.8557 -0.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0518 9.8914 2.5972 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5729 11.8709 0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7065 12.0653 2.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6013 9.7546 -0.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4583 8.0548 2.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7529 5.8077 0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4488 9.4970 -2.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6949 6.1387 -4.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1028 5.3111 -2.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6523 7.3332 -1.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4017 7.1187 -0.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3997 6.2103 1.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9517 5.0021 -0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9210 5.6542 0.9526 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6372 9.0269 3.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2164 8.4237 3.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 1 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 3 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 39 1 1 0 0 0 6 2 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 6 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 7 1 0 0 0 0 13 43 1 1 0 0 0 14 15 1 1 0 0 0 14 4 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 14 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 18 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 27 1 0 0 0 0 33 34 2 0 0 0 0 33 53 1 0 0 0 0 34 25 1 0 0 0 0 34 54 1 0 0 0 0 M END $$$$ R_OH_phar_28 OpenBabel05202509273D 54 60 0 0 0 0 0 0 0 0999 V2000 2.0976 1.6850 2.4478 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6596 2.5844 1.4563 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5396 2.6771 0.2296 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7115 3.4473 -0.6949 N 0 0 1 0 0 0 0 0 0 0 0 0 0.3115 3.0097 -0.5164 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3744 2.1266 0.7745 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4632 4.2419 -0.2123 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5887 4.9654 -0.8243 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1016 4.8166 -1.9107 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7299 5.9467 0.1781 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4877 6.1288 0.8497 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2114 6.6052 1.9289 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4283 5.4717 -0.1588 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7714 4.9485 -0.5624 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0161 5.3084 -2.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1849 5.4248 -2.9996 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3913 5.4011 -2.2781 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0194 5.4854 -1.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0557 5.5123 -0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4311 5.9100 1.2374 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7934 6.1426 1.4691 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3025 6.7563 2.9915 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7545 5.9181 0.4659 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3620 5.6041 -0.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9910 6.4216 0.5094 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7565 6.8868 -0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7986 7.7132 -0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3470 7.7442 1.0607 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3495 8.6213 1.3983 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4511 9.6967 0.4386 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1249 9.9183 -0.2721 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9729 8.7606 -1.1106 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7071 7.0675 2.0889 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4550 6.5039 1.8294 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8183 1.1441 2.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5314 3.5700 1.9252 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5464 3.0560 0.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6991 1.6735 -0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0927 2.4493 -1.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4809 2.2116 1.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4478 1.0655 0.5121 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9289 3.9817 0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2823 6.2486 -0.9327 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8180 5.5087 -3.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6959 6.0331 2.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8117 5.9963 0.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0859 5.4484 -1.6269 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4019 6.8564 -1.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7540 10.5932 0.9809 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2260 9.4316 -0.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2781 9.9957 0.4358 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1030 10.8118 -0.8962 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0926 7.1219 3.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 6.1325 2.6584 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 1 0 0 0 2 1 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 3 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 39 1 6 0 0 0 6 2 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 1 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 7 1 0 0 0 0 13 43 1 6 0 0 0 14 15 1 6 0 0 0 14 4 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 14 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 18 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 27 1 0 0 0 0 33 34 2 0 0 0 0 33 53 1 0 0 0 0 34 25 1 0 0 0 0 34 54 1 0 0 0 0 M END $$$$ R_OH_phar_29 OpenBabel05202510173D 54 60 0 0 0 0 0 0 0 0999 V2000 1.3870 10.2625 4.2753 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9829 9.5530 3.1181 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1304 9.3185 2.1496 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4839 9.1692 0.8533 N 0 0 2 0 0 0 0 0 0 0 0 0 0.2245 9.8862 0.8507 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0017 10.3588 2.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7927 8.8970 0.3645 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5813 9.4720 -0.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0933 10.5870 -0.7715 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6748 8.5388 -1.7698 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5214 7.7486 -1.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 7.1120 -2.5946 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0699 7.7079 -0.2467 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3874 7.8458 0.1585 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8332 6.6836 1.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1559 6.1158 1.9657 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2106 6.5315 0.9393 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6563 7.3391 -0.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5613 7.8806 -0.7904 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 8.7132 -1.8812 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0346 9.1700 -2.1191 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2838 10.3736 -3.3249 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.1134 8.7566 -1.3138 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9410 7.7801 -0.3254 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9053 7.7637 -1.7711 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6826 7.7852 -0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0727 6.5661 -0.0831 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9944 5.4203 -0.8735 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0997 4.1695 -0.3212 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4915 4.2388 0.9774 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2540 5.2373 1.8402 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2984 6.5519 1.2694 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6243 5.5078 -2.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0291 6.6861 -2.6558 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6991 11.1416 3.9983 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5402 8.5977 3.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7773 10.2045 2.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7866 8.5131 2.4873 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3096 10.7552 0.1878 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0285 10.2222 2.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2235 11.4294 2.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4729 8.5600 1.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5032 6.7866 0.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7916 6.0020 1.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9013 9.1078 -2.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0823 9.2382 -1.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7612 7.5020 0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7178 8.6464 0.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5219 3.2385 1.4261 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4321 4.5186 0.8757 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2879 4.9113 1.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7714 5.3233 2.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6140 4.6225 -2.8386 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5173 6.6964 -3.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 1 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 3 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 39 1 6 0 0 0 6 2 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 1 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 7 1 0 0 0 0 13 43 1 1 0 0 0 14 15 1 1 0 0 0 14 4 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 14 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 18 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 27 1 0 0 0 0 33 34 2 0 0 0 0 33 53 1 0 0 0 0 34 25 1 0 0 0 0 34 54 1 0 0 0 0 M END $$$$ R_OH_phar_30 OpenBabel05202511073D 54 60 0 0 0 0 0 0 0 0999 V2000 2.1911 19.1699 0.5966 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2227 18.5028 -0.1923 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7830 17.2332 -0.8553 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8508 16.1377 -0.5526 N 0 0 2 0 0 0 0 0 0 0 0 0 -0.3877 16.7661 -0.0521 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0654 18.0198 0.6675 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0589 15.7521 0.8530 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0820 14.9497 0.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9758 15.4718 -0.5471 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8048 13.6066 0.2642 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6131 13.3998 0.9143 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1406 12.3183 1.2412 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0067 14.7356 1.2356 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2763 15.1227 0.4283 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3422 15.5335 1.5002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4799 16.6084 2.0615 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0833 14.3782 1.7637 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 13.4093 0.7951 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9622 13.9187 -0.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7590 13.2474 -1.3588 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3184 11.9736 -1.4802 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0745 11.0798 -2.9307 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0458 11.3938 -0.4246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3568 12.1370 0.7189 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4954 12.6449 -0.5109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7722 11.8229 -1.3779 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3927 11.4238 -2.5566 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7498 11.6761 -2.7821 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3464 11.4989 -3.9969 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4226 11.4399 -5.0944 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9568 11.6797 -4.7372 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5946 10.9473 -3.5664 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5214 12.2415 -1.7836 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8848 12.7572 -0.6569 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 18.5331 1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8527 19.1962 -0.9567 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8233 17.0234 -0.5886 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7751 17.3811 -1.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0163 17.0468 -0.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7332 18.7666 0.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3784 17.8214 1.6985 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5396 16.1960 1.7256 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1677 14.7816 2.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8174 14.3333 2.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1592 13.6794 -2.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3728 10.3590 -0.4964 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9294 11.7011 1.5283 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7028 11.6747 -1.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5398 10.4556 -5.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7368 12.1925 -5.8272 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3093 11.3663 -5.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7571 12.7504 -4.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5857 12.4071 -1.9292 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4653 13.3505 0.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 6 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 3 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 39 1 6 0 0 0 6 2 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 1 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 7 1 0 0 0 0 13 43 1 1 0 0 0 14 15 1 1 0 0 0 14 4 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 14 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 18 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 27 1 0 0 0 0 33 34 2 0 0 0 0 33 53 1 0 0 0 0 34 25 1 0 0 0 0 34 54 1 0 0 0 0 M END $$$$ R_OH_phar_31 OpenBabel05202511073D 54 60 0 0 0 0 0 0 0 0999 V2000 2.3096 1.3791 -3.6223 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8434 2.3395 -2.7117 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7580 2.4572 -1.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9476 3.2601 -0.6156 N 0 0 1 0 0 0 0 0 0 0 0 0 0.5086 3.2167 -0.9688 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5125 2.0334 -1.9586 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1017 3.4934 0.4121 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3858 3.0799 0.9992 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1038 3.8906 1.5727 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3440 1.7296 1.1578 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0097 1.3622 1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4732 0.2447 1.2564 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7614 2.7045 1.3759 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1141 3.0772 0.8435 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5500 4.5750 1.2372 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8589 5.5714 1.3827 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9391 4.5632 1.2422 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4057 3.2618 1.3205 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3413 2.3517 1.2895 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5493 1.0167 1.5825 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8633 0.5963 1.7655 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1761 -1.0647 2.0851 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.9360 1.4994 1.6643 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 2.8618 1.4609 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5392 0.9707 1.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7678 1.6426 1.3759 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9654 0.9682 1.3094 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9916 -0.3509 0.8746 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1658 -0.9938 0.5639 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3148 -0.1702 0.8645 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0270 0.5823 2.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0804 1.6042 1.7957 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8028 -1.0674 0.8597 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5720 -0.4152 1.0587 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1693 1.7326 -3.9974 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7635 3.3058 -3.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7112 2.9407 -1.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9753 1.4482 -1.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2522 4.0920 -1.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5733 1.0420 -1.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3309 2.0205 -2.6532 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0479 4.5743 0.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6526 3.0084 2.4276 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4833 5.4088 1.2996 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7367 0.3030 1.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9545 1.1377 1.7597 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5258 3.5721 1.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8420 2.6954 1.6271 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5018 0.5280 0.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1782 -0.8298 0.9679 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5817 -0.0803 2.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9104 1.0481 2.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8411 -2.1452 0.7439 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6646 -1.0111 1.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 6 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 3 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 39 1 6 0 0 0 6 2 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 1 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 7 1 0 0 0 0 13 43 1 1 0 0 0 14 15 1 1 0 0 0 14 4 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 14 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 18 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 27 1 0 0 0 0 33 34 2 0 0 0 0 33 53 1 0 0 0 0 34 25 1 0 0 0 0 34 54 1 0 0 0 0 M END $$$$ R_OH_phar_32 OpenBabel05202511083D 54 60 0 0 0 0 0 0 0 0999 V2000 3.0655 2.8624 3.5681 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4358 2.9958 2.3065 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3308 2.6785 1.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4098 2.4629 0.0216 N 0 0 1 0 0 0 0 0 0 0 0 0 1.2150 1.7037 0.5645 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3554 1.9389 2.1001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1294 2.2069 -0.4280 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3429 2.2838 -0.4592 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0231 2.0689 -1.4537 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6960 3.0484 0.5949 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5897 3.8558 0.8782 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3662 4.5285 1.8729 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3263 3.7084 -0.3742 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8288 3.6743 -0.6344 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8997 3.3182 -2.2441 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8033 2.2280 -2.8006 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0939 4.4703 -2.9420 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6683 5.3907 -2.1131 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5679 4.9847 -0.7398 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2916 5.7071 0.1979 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2193 6.6447 -0.2717 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4109 7.2312 0.8204 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2987 6.9992 -1.6287 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4454 6.4110 -2.5527 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6577 2.3916 1.3728 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2875 1.7183 2.5114 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2969 1.0972 3.2036 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4002 0.5534 2.5387 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4247 -0.0464 3.2297 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5906 0.6129 4.5046 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9523 1.9967 4.4854 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5302 1.7336 4.4350 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6880 1.0200 1.2729 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8920 2.0508 0.7682 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0298 2.9068 3.4488 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0132 4.0016 2.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8776 1.7476 1.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1182 3.4112 0.9466 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3382 0.6272 0.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4771 2.2073 2.6703 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7286 1.0109 2.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3155 1.6873 -1.3654 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1870 4.2930 -1.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2075 4.4451 -3.9401 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2472 5.4770 1.2519 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0652 7.6817 -1.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5057 6.6497 -3.6081 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2802 1.6144 2.8662 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6608 0.6729 4.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1049 -0.0019 5.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2755 2.5927 3.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1756 2.5986 5.3658 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6050 0.7276 0.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2044 2.5444 -0.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 6 0 0 0 2 1 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 3 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 39 1 6 0 0 0 6 2 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 6 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 7 1 0 0 0 0 13 43 1 6 0 0 0 14 15 1 6 0 0 0 14 4 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 14 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 18 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 27 1 0 0 0 0 33 34 2 0 0 0 0 33 53 1 0 0 0 0 34 25 1 0 0 0 0 34 54 1 0 0 0 0 M END $$$$ GS143_1 OpenBabel05202511083D 54 58 0 0 0 0 0 0 0 0999 V2000 0.7638 -1.4923 -1.1293 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1019 -0.8653 -0.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6906 -0.3161 0.7702 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3663 -0.9960 -0.2735 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9917 -1.2625 -1.4971 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3888 -1.3775 -1.5691 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1814 -1.2320 -0.4227 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5310 -0.9583 0.7956 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1425 -0.8399 0.8744 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5904 -1.3875 -0.4415 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2646 -1.2575 0.7635 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5172 -1.5540 0.5359 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7383 -1.9473 -0.8643 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7553 -2.5094 -1.5266 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9426 -2.9605 -0.8983 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2253 -4.2255 -0.4042 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5520 -4.2118 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0263 -2.9307 -0.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0568 -2.1790 -0.7069 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.2718 -2.2441 0.2422 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4959 -0.9128 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6730 -0.2442 0.2101 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6507 -0.8937 0.9591 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4525 -2.2159 1.3471 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2769 -2.8773 0.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1333 -4.1474 1.3982 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.4213 -1.7191 -1.5233 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1946 -1.8494 -2.7125 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5592 -1.4483 1.6064 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7531 -2.6897 2.4459 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7182 -3.6013 2.6989 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9248 -4.6974 3.5382 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1636 -4.8879 4.1469 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1968 -3.9838 3.9166 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9913 -2.8897 3.0761 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7061 -1.3794 -0.8833 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3995 -1.3803 -2.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8350 -1.5895 -2.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1055 -0.8525 1.7154 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6748 -0.6372 1.8356 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6504 -2.7380 -2.5847 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5426 -5.0647 -0.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0833 -5.0351 0.5427 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7495 -0.3784 -0.7309 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8220 0.7880 -0.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5621 -0.3721 1.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2035 -2.7394 1.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2560 -0.6386 2.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5027 -1.1316 1.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7307 -3.4677 2.2622 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1127 -5.3942 3.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3172 -5.7339 4.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1611 -4.1270 4.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8088 -2.1894 2.9157 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 7 2 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 8 39 1 0 0 0 0 9 4 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 15 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 2 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 20 1 0 0 0 0 27 28 2 0 0 0 0 27 10 1 0 0 0 0 29 30 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 31 50 1 0 0 0 0 32 33 2 0 0 0 0 32 51 1 0 0 0 0 33 34 1 0 0 0 0 33 52 1 0 0 0 0 34 35 2 0 0 0 0 34 53 1 0 0 0 0 35 30 1 0 0 0 0 35 54 1 0 0 0 0 M END $$$$ GS143_2 OpenBabel05202511083D 54 58 0 0 0 0 0 0 0 0999 V2000 0.5438 1.8388 -0.4321 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1358 1.0935 0.6133 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9315 0.5641 1.3646 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3389 1.0410 0.7174 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9206 0.3559 1.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3155 0.3271 1.9262 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1429 0.9646 0.9929 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5432 1.6265 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1547 1.6712 -0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5497 1.0068 1.1392 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2983 1.6663 0.1660 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5326 1.6774 0.5949 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6467 1.0738 1.9326 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6907 1.1638 2.7633 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6011 0.7335 4.1106 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8991 -0.4983 4.6707 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6429 -0.4103 6.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1815 0.8659 6.2991 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1736 1.5616 5.1223 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7203 1.5845 7.4859 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3260 2.9315 7.4152 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8730 3.6130 8.5513 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8086 2.9602 9.7809 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1979 1.6275 9.8725 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6462 0.9535 8.7358 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0048 -0.3320 8.8808 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.3068 0.4980 2.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0069 -0.2421 3.1186 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6748 2.2333 -0.2073 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9532 3.6909 0.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9712 4.6612 -0.1928 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2312 6.0117 0.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4794 6.4100 0.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4711 5.4581 0.7456 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2115 4.1062 0.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5223 1.8162 -0.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3005 -0.1448 2.5275 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7232 -0.1971 2.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1489 2.1403 -0.8303 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7271 2.2152 -1.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5965 1.6860 2.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2454 -1.3690 4.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7651 -1.1935 6.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3628 3.4656 6.4674 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5667 4.6532 8.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4540 3.4874 10.6627 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1530 1.1006 10.8209 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4407 2.1090 -1.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5663 1.6245 -0.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9948 4.3732 -0.5795 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4603 6.7542 -0.1457 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6816 7.4618 0.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4502 5.7712 1.0995 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0067 3.3838 0.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 7 2 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 8 39 1 0 0 0 0 9 4 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 15 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 2 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 20 1 0 0 0 0 27 28 2 0 0 0 0 27 10 1 0 0 0 0 29 30 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 31 50 1 0 0 0 0 32 33 2 0 0 0 0 32 51 1 0 0 0 0 33 34 1 0 0 0 0 33 52 1 0 0 0 0 34 35 2 0 0 0 0 34 53 1 0 0 0 0 35 30 1 0 0 0 0 35 54 1 0 0 0 0 M END $$$$ aspirin OpenBabel05202511083D 24 24 0 0 0 0 0 0 0 0999 V2000 1.2530 -0.0955 -0.6376 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3838 -1.1863 -0.5342 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8279 -1.0582 0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1753 0.1575 0.7344 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3146 1.2500 0.6292 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9035 1.1299 -0.0556 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7418 2.3506 -0.1854 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2834 3.4768 -0.0495 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0403 2.0490 -0.4475 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9006 3.1927 -0.6316 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3201 3.7807 0.7138 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1243 2.7363 -1.4169 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1868 -0.2066 -1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6446 -2.1350 -0.9965 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5064 -1.9051 0.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1197 0.2589 1.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5987 2.2006 1.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3817 3.9531 -1.2287 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8336 3.0341 1.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9869 4.6382 0.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4517 4.1176 1.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8219 2.2887 -2.3694 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7937 3.5774 -1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6847 1.9709 -0.8692 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 13 1 0 0 0 0 2 3 1 0 0 0 0 2 14 1 0 0 0 0 3 4 2 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 4 16 1 0 0 0 0 5 6 2 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 1 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 M END $$$$ ibuprofen_1 OpenBabel05202511083D 33 33 0 0 0 0 0 0 0 0999 V2000 -8.6435 -4.2042 -3.4396 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0844 -4.4909 -1.9999 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6031 -4.6496 -1.9371 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3773 -5.7362 -1.4123 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8745 -5.5705 -1.3657 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3069 -4.5190 -0.6372 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9434 -4.2367 -0.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1043 -5.0326 -1.5386 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6637 -6.1376 -2.1918 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0339 -6.4036 -2.1116 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6290 -4.6911 -1.6696 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2078 -4.3317 -3.1004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7455 -5.8268 -1.1791 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6117 -6.9252 -1.6844 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0426 -5.5021 -0.0765 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8885 -5.0380 -4.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5648 -4.0269 -3.5018 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1364 -3.3044 -3.8223 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8306 -3.6116 -1.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9446 -5.4963 -2.5411 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9342 -4.8077 -0.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0989 -3.7458 -2.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7343 -5.9232 -0.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6435 -6.6243 -1.9995 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9361 -3.8816 -0.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5537 -3.3735 -0.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0357 -6.7994 -2.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4389 -7.2474 -2.6652 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4243 -3.8082 -1.0494 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2682 -3.7651 -3.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0198 -5.2210 -3.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9546 -3.7173 -3.6149 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5299 -6.3199 0.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 19 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 7 8 2 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 27 1 0 0 0 0 10 5 1 0 0 0 0 10 28 1 0 0 0 0 11 13 1 0 0 0 0 11 29 1 1 0 0 0 11 12 1 0 0 0 0 11 8 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 33 1 0 0 0 0 M END $$$$ ibuprofen_2 OpenBabel05202511083D 33 33 0 0 0 0 0 0 0 0999 V2000 1.1599 -0.1473 0.0892 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5526 -0.8241 1.3227 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0419 -0.1272 2.5917 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9913 -0.8326 1.2834 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5425 -1.5635 0.0831 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2523 -2.9203 -0.1214 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6466 -3.5576 -1.2964 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3575 -2.8655 -2.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7026 -1.5262 -2.0485 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2970 -0.8819 -0.8779 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7108 -3.5632 -3.5831 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2206 -3.6127 -3.8223 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0101 -2.9357 -4.7759 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4077 -2.0045 -5.4580 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8317 -3.5300 -5.0658 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8248 0.8913 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8878 -0.6720 -0.8325 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2535 -0.1488 0.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9202 -1.8576 1.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7296 0.9223 2.6149 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6448 -0.6216 3.4843 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 -0.1575 2.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3883 -1.3108 2.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3638 0.2000 1.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6884 -3.4784 0.6206 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3724 -4.6009 -1.4395 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2665 -0.9600 -2.7876 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5466 0.1680 -0.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3748 -4.6071 -3.5367 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6595 -2.6120 -3.9078 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4457 -4.1462 -4.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7268 -4.1304 -3.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5102 -3.0434 -5.8542 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 19 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 7 8 2 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 2 0 0 0 0 9 27 1 0 0 0 0 10 5 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 29 1 1 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 33 1 0 0 0 0 M END $$$$