HMDB0244533 RDKit 3D Medphalan 37 37 0 0 0 0 0 0 0 0999 V2000 5.4101 0.4423 0.0391 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9445 0.5435 -0.1125 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2854 -0.6187 0.5584 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8264 -0.5302 0.4158 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1761 -1.1359 -0.6469 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2068 -1.0496 -0.7783 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9045 -0.3587 0.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3324 -0.2380 -0.0085 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1541 -0.0519 1.1568 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0805 -1.1800 1.4793 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2731 -1.5530 0.2558 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.9116 -0.2694 -1.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5050 1.0967 -1.6921 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2749 2.3511 -1.6780 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2662 0.2442 1.2125 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1187 0.1701 1.3643 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5928 0.7227 -1.5324 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5178 0.6912 -2.3868 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3095 0.9271 -2.0101 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7734 1.4021 -0.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6425 0.0911 0.9894 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6786 1.5058 0.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6878 -1.5637 0.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5706 -0.5811 1.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7050 -1.6909 -1.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6837 -1.5446 -1.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7792 0.8867 1.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5532 0.1217 2.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4703 -2.0670 1.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6405 -0.8610 2.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1050 -0.3970 -2.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6055 -1.0934 -1.5072 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9215 1.0350 -2.7173 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3340 1.2780 -1.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 0.8025 1.9564 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6557 0.6294 2.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8869 1.8429 -1.8167 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 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 8 12 1 0 12 13 1 0 13 14 1 0 7 15 1 0 15 16 2 0 2 17 1 0 17 18 2 0 17 19 1 0 16 4 1 0 1 20 1 0 1 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 5 25 1 0 6 26 1 0 9 27 1 0 9 28 1 0 10 29 1 0 10 30 1 0 12 31 1 0 12 32 1 0 13 33 1 0 13 34 1 0 15 35 1 0 16 36 1 0 19 37 1 0 M END