HMDB0004999 RDKit 3D Loperamide 67 70 0 0 0 0 0 0 0 0999 V2000 -2.4781 1.8008 -2.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8296 2.1853 -0.8639 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2454 3.5936 -0.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8168 1.3727 0.2666 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1980 1.9328 1.3684 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4139 -0.0716 0.3384 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9662 -0.2996 0.5128 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0396 0.1992 -0.5217 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3428 -0.0991 -0.1577 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2036 0.3419 -1.2746 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4734 -0.4633 -1.1401 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8903 -0.3422 0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4736 -1.4577 1.0187 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3451 -0.1470 0.3769 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1104 -1.0272 1.1085 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4706 -0.8204 1.1379 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0634 0.2214 0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8029 0.5075 0.4911 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.2662 1.1057 -0.2695 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9020 0.9095 -0.3068 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2333 0.8991 0.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7490 0.6624 1.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0799 -0.8124 -0.7533 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3509 -0.3548 -1.1327 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0173 -1.0047 -2.1565 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4329 -2.0807 -2.7848 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1765 -2.5092 -2.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4857 -1.8850 -1.3716 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0685 -0.5903 1.6155 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0512 -1.5547 1.5895 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6645 -2.0403 2.7234 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2982 -1.5591 3.9399 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3184 -0.5957 3.9986 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6999 -0.1059 2.8491 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4252 1.9344 -2.8049 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0869 0.7995 -2.3104 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6929 2.4890 -2.6148 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6903 4.1726 -1.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9353 3.9059 0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3400 3.5950 -0.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8182 -1.4226 0.5675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6999 0.0430 1.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1991 -0.3344 -1.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0668 1.2751 -0.7213 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6597 0.0943 -2.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4168 1.4201 -1.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2890 -0.1054 -1.8032 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2254 -1.5210 -1.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 -2.2364 0.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6686 -1.8676 1.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1102 -1.4831 1.6968 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6939 1.9360 -0.8083 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2891 1.5926 -0.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5230 1.8177 0.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6767 0.9452 1.9827 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2476 1.6493 1.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5708 0.1016 1.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7947 0.4945 -0.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9914 -0.6433 -2.4375 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9419 -2.6009 -3.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7289 -3.3628 -2.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5160 -2.2748 -1.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3843 -1.9791 0.6605 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4267 -2.7898 2.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7881 -1.9469 4.8369 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0625 -0.2476 4.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9559 0.6385 2.9872 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 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 12 21 1 0 21 22 1 0 6 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 6 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 22 9 1 0 28 23 1 0 34 29 1 0 20 14 1 0 1 35 1 0 1 36 1 0 1 37 1 0 3 38 1 0 3 39 1 0 3 40 1 0 7 41 1 0 7 42 1 0 8 43 1 0 8 44 1 0 10 45 1 0 10 46 1 0 11 47 1 0 11 48 1 0 13 49 1 0 15 50 1 0 16 51 1 0 19 52 1 0 20 53 1 0 21 54 1 0 21 55 1 0 22 56 1 0 22 57 1 0 24 58 1 0 25 59 1 0 26 60 1 0 27 61 1 0 28 62 1 0 30 63 1 0 31 64 1 0 32 65 1 0 33 66 1 0 34 67 1 0 M END