HMDB0014815 RDKit 3D Isoflurophate 25 24 0 0 0 0 0 0 0 0999 V2000 -3.5654 0.3169 -0.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4371 -0.1289 -0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9463 0.0281 1.4084 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3488 0.6795 -0.2707 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0163 -0.2278 -0.7619 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.3285 -1.7067 -0.6573 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 0.1406 -2.3613 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2636 0.1638 0.2742 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5166 -0.1082 -0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2897 1.2175 -0.2137 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1924 -1.0599 0.7798 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1449 1.1343 -0.4076 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2921 -0.4903 -1.1304 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1757 0.7984 -1.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1280 -1.1785 -0.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1261 -0.0921 2.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7120 -0.7350 1.5726 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4388 1.0215 1.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5543 -0.5505 -1.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2389 1.6390 -1.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3051 1.0170 0.1305 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8038 1.9449 0.4927 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.4357 1.4932 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8299 -1.8006 0.2733 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4561 -1.5873 1.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 5 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 3 16 1 0 3 17 1 0 3 18 1 0 9 19 1 0 10 20 1 0 10 21 1 0 10 22 1 0 11 23 1 0 11 24 1 0 11 25 1 0 M END