HMDB0240223 RDKit 3D Chlorphenoxamine 43 44 0 0 0 0 0 0 0 0999 V2000 5.0869 0.2960 -0.5636 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8637 -0.4877 -0.6499 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7785 -1.5123 0.3487 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7596 0.4387 -0.5464 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4282 -0.3114 -0.6217 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4349 0.6110 -0.5184 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8546 0.0940 -0.5551 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9999 -0.6133 -1.8855 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8118 1.2361 -0.5745 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3803 2.5334 -0.4216 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2612 3.6052 -0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6058 3.3624 -0.6023 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0635 2.0869 -0.7565 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1614 1.0218 -0.7423 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1542 -0.7770 0.5865 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9888 -0.3769 1.8929 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2723 -1.1947 2.9588 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7392 -2.4630 2.7296 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1215 -3.5585 4.0543 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.9182 -2.9013 1.4498 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6239 -2.0533 0.3738 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8833 1.2737 -0.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -0.2536 -0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3870 0.5481 -1.5968 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0877 -1.2589 1.1875 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7772 -1.8208 0.7392 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3196 -2.4112 -0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7774 1.0506 0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7956 1.1024 -1.4454 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3886 -1.1467 0.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3859 -0.7653 -1.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5693 0.0982 -2.6508 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0680 -0.7576 -2.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4578 -1.5781 -1.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3177 2.7568 -0.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9062 4.6197 -0.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2806 4.1991 -0.6091 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1222 1.8936 -0.8892 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5388 0.0152 -0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6164 0.6349 2.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1501 -0.8984 3.9905 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2889 -3.9076 1.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7772 -2.4300 -0.6237 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 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 7 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 2 0 14 9 1 0 21 15 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 8 32 1 0 8 33 1 0 8 34 1 0 10 35 1 0 11 36 1 0 12 37 1 0 13 38 1 0 14 39 1 0 16 40 1 0 17 41 1 0 20 42 1 0 21 43 1 0 M END