HMDB0255118 RDKit 3D N-desmethyl loperamide 64 67 0 0 0 0 0 0 0 0999 V2000 -3.3464 -2.7458 2.5059 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0821 -1.7840 1.5019 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3616 -0.7567 1.4835 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6313 -0.3606 2.5761 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2928 0.0804 0.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8947 0.0538 -0.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2982 -1.2464 -0.6679 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1811 -1.1152 -0.8460 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7651 -0.9921 0.4834 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6603 0.1618 0.7032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5728 0.5070 -0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6612 1.9208 -0.4778 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9626 0.0180 -0.1668 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9346 0.8855 0.3493 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2105 0.4693 0.6144 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5992 -0.8412 0.3824 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2187 -1.4213 0.7209 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.6483 -1.7063 -0.1257 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3767 -1.2776 -0.3883 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0411 0.0624 -1.7675 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5102 0.0077 -1.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3882 -0.4384 -0.6247 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3962 -1.7109 -1.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5049 -2.2097 -1.8681 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6225 -1.4407 -2.0451 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6424 -0.1761 -1.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5552 0.3046 -0.8349 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5884 1.5175 0.4762 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4896 2.3750 -0.6088 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7286 3.7191 -0.4771 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0735 4.2618 0.7257 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1710 3.3921 1.8073 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9319 2.0403 1.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4475 -2.6853 2.7485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7763 -2.5064 3.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1332 -3.7956 2.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0759 -0.9223 3.1783 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2679 0.4807 0.5456 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8048 0.7971 -1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6052 -1.4405 -1.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4919 -2.0721 -0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9492 -0.9763 1.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3352 -1.9619 0.6311 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0179 1.0469 0.9388 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3302 -0.0744 1.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6537 2.2859 0.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6583 1.9156 0.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9500 1.1533 1.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9669 -2.7400 -0.3047 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6426 -1.9770 -0.7937 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2787 0.8273 -2.5664 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4559 -0.8866 -2.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2008 0.9854 -1.2699 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1296 -0.1811 -2.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5638 -2.4119 -1.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4707 -3.2054 -2.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5091 -1.8178 -2.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5477 0.4030 -1.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6183 1.2988 -0.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2415 2.0024 -1.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6320 4.3534 -1.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2585 5.3091 0.8003 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4470 3.8365 2.7483 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0205 1.4051 2.5358 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 3 3 4 1 0 3 5 1 0 5 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 11 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 2 0 11 20 1 0 20 21 1 0 5 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 5 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 21 8 1 0 27 22 1 0 33 28 1 0 19 13 1 0 1 34 1 0 1 35 1 0 1 36 1 0 4 37 1 0 6 38 1 0 6 39 1 0 7 40 1 0 7 41 1 0 9 42 1 0 9 43 1 0 10 44 1 0 10 45 1 0 12 46 1 0 14 47 1 0 15 48 1 0 18 49 1 0 19 50 1 0 20 51 1 0 20 52 1 0 21 53 1 0 21 54 1 0 23 55 1 0 24 56 1 0 25 57 1 0 26 58 1 0 27 59 1 0 29 60 1 0 30 61 1 0 31 62 1 0 32 63 1 0 33 64 1 0 M END