HMDB0015176 RDKit 3D Melphalan 37 37 0 0 0 0 0 0 0 0999 V2000 5.1291 -0.6145 -0.6885 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7399 -0.1278 -0.7349 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9564 -1.1164 0.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5160 -0.7348 0.1126 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0291 0.0704 1.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2929 0.4120 1.1815 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1939 -0.0300 0.1913 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5577 0.3664 0.3170 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8515 1.7645 0.1116 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6871 1.9246 -1.1551 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9974 3.6720 -1.3690 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.6041 -0.5448 0.6687 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1684 -2.0136 0.5915 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7831 -2.3267 1.6505 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7321 -0.8094 -0.8135 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6239 -1.1530 -0.8378 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6479 1.2437 -0.2002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5839 1.8647 -0.2068 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8084 1.8269 0.3160 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1497 -1.6727 -0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5530 -0.3091 0.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4032 -0.1519 -1.7833 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2983 -1.1647 1.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0343 -2.1194 -0.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7263 0.3948 1.9001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6796 1.0393 1.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9322 2.3675 -0.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4171 2.1704 0.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0769 1.5352 -1.9923 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6158 1.3436 -1.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8148 -0.3667 1.7689 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5421 -0.3617 0.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0059 -2.6587 0.9883 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0091 -2.3667 -0.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3752 -1.1770 -1.6142 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9636 -1.7793 -1.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1741 1.6028 1.2402 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 6 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