HMDB0014432 RDKit 3D Travoprost 70 71 0 0 0 0 0 0 0 0999 V2000 -7.9084 3.6411 -0.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3774 2.3016 0.4308 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5999 1.8231 -0.3072 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3554 1.3540 0.4358 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7841 0.8232 1.5689 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1872 1.2258 2.6850 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7154 -0.2114 1.4996 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3182 0.2974 1.6179 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3155 -0.8702 1.5149 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4818 -1.5724 0.2391 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5572 -1.7087 -0.6637 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1769 -1.2011 -0.5871 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2039 -2.4058 -0.7139 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5848 -3.0905 -2.0646 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6358 -2.0610 -2.9719 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6371 -3.9250 -2.3386 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7464 -3.3584 -1.5121 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9556 -3.2257 -2.1477 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1652 -1.9728 -1.0983 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0589 -1.4018 -0.1034 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5888 -0.1983 -0.1556 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5181 0.3447 0.8951 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9633 0.4832 2.1324 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7017 -0.6171 0.8553 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8102 -0.3326 1.5454 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7610 0.6371 1.5466 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8152 0.5405 2.4906 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8167 1.4787 2.5557 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8432 2.5584 1.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8360 2.6782 0.7789 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8563 3.8390 -0.1315 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9963 3.8251 -0.9366 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7441 3.8564 -0.9356 F 0 0 0 0 0 0 0 0 0 0 0 0 7.9505 5.0365 0.6055 F 0 0 0 0 0 0 0 0 0 0 0 0 6.8214 1.7267 0.7144 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4437 3.5712 -1.1139 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1604 4.1118 0.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8281 4.2535 -0.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6967 2.5597 1.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2497 1.2181 0.3939 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1343 2.6851 -0.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3129 1.1270 -1.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9578 -0.9775 2.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8878 -0.7462 0.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1811 0.7037 2.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0563 1.1015 0.9138 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3306 -0.5007 1.7564 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6109 -1.5800 2.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4968 -2.0265 0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8884 -2.2678 -1.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9359 -0.6324 0.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9754 -0.5907 -1.4825 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3039 -3.1265 0.0732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4974 -3.6813 -1.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0381 -2.2582 -3.8375 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9640 -3.7902 -3.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4824 -4.9868 -2.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8704 -3.8776 -0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6422 -3.0171 -1.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0907 -1.3326 -2.0089 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 -2.0043 0.7636 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3532 0.4490 -0.9825 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8987 1.3428 0.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5835 0.2251 2.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3380 -1.6438 1.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9833 -0.8031 -0.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7718 -0.3240 3.1468 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6129 1.3717 3.3001 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6536 3.2761 1.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0356 1.8529 -0.0497 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 31 34 1 0 30 35 2 0 19 13 1 0 35 26 1 0 1 36 1 0 1 37 1 0 1 38 1 0 2 39 1 0 3 40 1 0 3 41 1 0 3 42 1 0 7 43 1 0 7 44 1 0 8 45 1 0 8 46 1 0 9 47 1 0 9 48 1 0 10 49 1 0 11 50 1 0 12 51 1 0 12 52 1 0 13 53 1 1 14 54 1 1 15 55 1 0 16 56 1 0 16 57 1 0 17 58 1 1 18 59 1 0 19 60 1 6 20 61 1 0 21 62 1 0 22 63 1 6 23 64 1 0 24 65 1 0 24 66 1 0 27 67 1 0 28 68 1 0 29 69 1 0 35 70 1 0 M END