HMDB0014920 RDKit 3D Propantheline 57 59 0 0 0 0 0 0 0 0999 V2000 -3.6355 -0.1952 3.1006 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5563 -0.6749 2.2134 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4783 -2.1749 2.2944 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6283 -0.2155 0.8235 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.5554 -1.1587 0.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2782 -0.3543 0.3451 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0855 -0.7574 -1.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2649 -0.8807 -1.4332 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2054 0.1204 -1.4004 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8688 1.2602 -1.0068 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6230 -0.0791 -1.8131 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2845 -1.1090 -0.9859 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7333 -2.3797 -0.9269 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2949 -3.3900 -0.1724 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4429 -3.1273 0.5471 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9768 -1.8638 0.4781 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4256 -0.8366 -0.2751 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0131 0.4224 -0.3058 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4621 1.4411 -1.0571 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0382 2.6849 -1.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5206 3.7341 -1.8304 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3830 3.5129 -2.5572 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7948 2.2740 -2.5333 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3242 1.2192 -1.7837 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1645 1.1043 0.7453 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7400 1.9000 -0.4708 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6677 1.1848 0.7451 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2526 -0.3501 4.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5310 -0.8850 3.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8944 0.8617 3.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5816 -0.2957 2.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8714 -2.6291 1.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4948 -2.6514 2.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9579 -2.5015 3.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0692 -2.1214 -0.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3411 -1.4802 0.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0297 -0.6313 -0.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6664 -1.0714 0.9729 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7450 0.6250 0.5345 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5044 0.0194 -1.7635 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5908 -1.6910 -1.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6190 -0.3909 -2.9026 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8382 -2.5897 -1.4883 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8516 -4.3867 -0.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8816 -3.9157 1.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8710 -1.6507 1.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9398 2.8894 -0.5256 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9914 4.7091 -1.8434 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9396 4.3226 -3.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8846 2.1093 -3.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7258 1.6825 1.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6746 2.0757 -0.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1806 2.9321 -0.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2615 1.5726 -1.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2011 0.3306 1.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0228 2.0873 1.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0864 1.3633 -0.2904 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 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 4 25 1 0 25 26 1 0 25 27 1 0 24 11 1 0 17 12 1 0 24 19 1 0 1 28 1 0 1 29 1 0 1 30 1 0 2 31 1 0 3 32 1 0 3 33 1 0 3 34 1 0 5 35 1 0 5 36 1 0 5 37 1 0 6 38 1 0 6 39 1 0 7 40 1 0 7 41 1 0 11 42 1 0 13 43 1 0 14 44 1 0 15 45 1 0 16 46 1 0 20 47 1 0 21 48 1 0 22 49 1 0 23 50 1 0 25 51 1 0 26 52 1 0 26 53 1 0 26 54 1 0 27 55 1 0 27 56 1 0 27 57 1 0 M CHG 1 4 1 M END