HMDB0030286 RDKit 3D Coreximine 45 48 0 0 0 0 0 0 0 0999 V2000 -6.3914 -0.4260 -1.5426 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9696 -0.6255 -0.2076 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6330 -0.4050 0.0927 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7144 0.0006 -0.8714 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3967 0.2129 -0.5515 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9524 0.0292 0.7323 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8490 -0.3722 1.6987 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1754 -0.5857 1.3761 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0425 -0.9885 2.3782 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5553 0.2440 1.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2556 0.8824 0.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7159 0.6932 0.2226 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3600 1.2059 1.3318 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7128 1.0516 1.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2799 1.6108 2.7127 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4881 0.3590 0.6408 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8400 0.2064 0.8624 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7136 -0.4718 0.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8647 -0.1585 -0.4694 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5002 0.0047 -0.6776 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9235 -0.5954 -1.9134 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4432 -0.8073 -1.6732 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0919 0.4718 -1.2825 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4741 0.6437 -1.6286 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8880 -1.1697 -2.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0875 0.6100 -1.8354 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4980 -0.4584 -1.6323 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0911 0.1378 -1.8744 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5256 -0.5227 2.7111 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0076 -1.1460 2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 0.9410 1.9994 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1426 -0.7042 1.4822 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0762 1.9945 0.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 1.7467 2.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2733 1.4723 2.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6923 -1.5458 0.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4860 -0.3497 -1.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7744 -0.1379 0.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4841 -0.7046 -1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4497 -1.5129 -2.2126 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0215 0.1651 -2.7352 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3469 -1.5802 -0.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0879 -1.1803 -2.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6651 0.0572 -2.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6447 1.7072 -1.8949 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 6 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 2 0 16 17 1 0 17 18 1 0 16 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 8 3 1 0 23 11 1 0 24 5 1 0 20 12 1 0 1 25 1 0 1 26 1 0 1 27 1 0 4 28 1 0 7 29 1 0 9 30 1 0 10 31 1 0 10 32 1 0 11 33 1 0 13 34 1 0 15 35 1 0 18 36 1 0 18 37 1 0 18 38 1 0 19 39 1 0 21 40 1 0 21 41 1 0 22 42 1 0 22 43 1 0 24 44 1 0 24 45 1 0 M END