HMDB0005010 RDKit 3D Sertraline 37 39 0 0 0 0 0 0 0 0999 V2000 4.2072 -1.3734 -0.1227 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1429 -0.6247 0.4813 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3646 0.1160 -0.4871 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6864 -0.8144 -1.4544 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3625 -1.2506 -0.8124 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5249 -0.0533 -0.8066 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9395 -0.3537 -0.4806 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2827 -1.2575 0.5051 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6276 -1.5232 0.7891 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6430 -0.8968 0.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3318 -1.2610 0.4907 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.3109 0.0082 -0.8856 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6043 0.8126 -1.7690 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.9679 0.2619 -1.1572 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0543 0.9471 0.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7702 1.7918 0.8568 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1793 2.6845 1.7077 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 2.7528 1.8516 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9718 1.9001 1.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4270 0.9744 0.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8664 -2.3616 -0.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6393 -0.7823 -0.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9964 -1.5159 0.6692 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5352 -1.2542 1.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0847 0.7640 -1.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3058 -1.6903 -1.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4090 -0.2257 -2.3587 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5301 -1.5700 0.2411 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 -2.1201 -1.3486 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4964 0.4100 -1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4832 -1.7382 1.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8733 -2.2240 1.5535 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7351 0.9738 -1.9361 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8371 1.6947 0.7024 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8009 3.3606 2.2885 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6623 3.4708 2.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0436 1.9675 1.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 1 0 12 14 2 0 6 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 3 1 0 14 7 1 0 20 15 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 3 25 1 6 4 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 6 30 1 6 8 31 1 0 9 32 1 0 14 33 1 0 16 34 1 0 17 35 1 0 18 36 1 0 19 37 1 0 M END