HMDB0249666 RDKit 3D Carcinine 27 27 0 0 0 0 0 0 0 0999 V2000 4.5923 1.3311 -0.0584 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6729 0.2862 -0.4067 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3180 0.4882 0.2289 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3969 -0.5981 -0.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8047 -1.5059 -0.8961 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0566 -0.6104 0.3428 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8295 -1.6846 -0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1699 -1.4878 0.5898 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7833 -0.2013 0.1584 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0090 0.2812 0.5502 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1840 1.4685 -0.0654 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1123 1.7490 -0.8297 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2746 0.7102 -0.6717 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0433 1.0948 0.8541 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0992 2.2428 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0505 -0.7224 -0.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5150 0.2843 -1.5111 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9226 1.4850 -0.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4321 0.4805 1.3355 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2862 0.1346 0.9613 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4403 -2.6780 0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9716 -1.7361 -1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0642 -1.5126 1.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8203 -2.3436 0.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6664 -0.2246 1.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9574 2.6283 -1.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3351 0.6408 -1.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 9 1 0 1 14 1 0 1 15 1 0 2 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 6 20 1 0 7 21 1 0 7 22 1 0 8 23 1 0 8 24 1 0 10 25 1 0 12 26 1 0 13 27 1 0 M END