HMDB0039955 RDKit 3D Carotamine 33 34 0 0 0 0 0 0 0 0999 V2000 -6.5448 0.1933 0.0980 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1264 -0.0181 0.1806 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2920 1.0672 0.0759 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9148 0.8513 0.1575 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4072 -0.4094 0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9732 -0.6120 0.4109 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5737 -1.6940 0.9509 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0853 0.3457 -0.0927 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3245 0.3190 -0.1049 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0512 1.3823 -0.6605 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4274 1.3910 -0.6899 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1507 0.3469 -0.1706 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6164 0.3409 -0.1942 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2627 -0.6222 0.2853 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3074 1.4100 -0.7521 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4740 -0.7124 0.3821 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1716 -1.8332 0.9410 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0685 -0.7053 0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2815 -1.4703 0.4371 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6446 -1.2997 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1761 -0.5135 -0.3351 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9515 1.0792 0.4828 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6415 2.0577 -0.0634 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3174 1.7476 0.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5281 1.2133 -0.5339 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4996 2.2221 -1.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9314 2.2396 -1.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9292 2.3455 -0.7091 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4709 -2.6019 0.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3673 -1.8713 1.9544 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6122 -1.5738 0.8554 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8940 -2.4724 0.5794 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3130 -2.1430 0.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 15 1 0 12 16 1 0 16 17 1 0 16 18 2 0 5 19 1 0 19 20 2 0 20 2 1 0 18 9 1 0 1 21 1 0 1 22 1 0 3 23 1 0 4 24 1 0 8 25 1 0 10 26 1 0 11 27 1 0 15 28 1 0 17 29 1 0 17 30 1 0 18 31 1 0 19 32 1 0 20 33 1 0 M END