HMDB0014410 RDKit 3D Crotamiton 32 32 0 0 0 0 0 0 0 0999 V2000 3.7366 1.6279 -0.8199 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6103 0.2112 -0.4079 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5424 -0.3987 -0.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2575 0.2296 0.0956 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 1.4610 -0.2342 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0902 -0.4673 0.5509 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1819 -1.8384 0.9642 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0329 -2.8255 -0.1653 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1332 0.2224 0.5977 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6219 0.5837 1.8325 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8248 1.2745 1.9975 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5073 1.5798 0.8385 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0393 1.2296 -0.4172 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8609 0.5575 -0.5088 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3305 0.1718 -1.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8402 1.9103 -0.8398 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2107 2.3537 -0.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3764 1.8017 -1.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5461 -0.3903 -0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5994 -1.4499 0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1369 -2.0283 1.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6020 -2.1059 1.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0959 -3.1015 -0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5129 -3.7802 0.0682 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3171 -2.3937 -1.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0592 0.3263 2.7103 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2134 1.5610 2.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4358 2.1073 0.9143 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6034 1.4888 -1.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3068 -0.1956 -1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4907 0.9682 -2.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9787 -0.6907 -2.1709 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 3 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 6 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 9 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 3 20 1 0 7 21 1 0 7 22 1 0 8 23 1 0 8 24 1 0 8 25 1 0 10 26 1 0 11 27 1 0 12 28 1 0 13 29 1 0 15 30 1 0 15 31 1 0 15 32 1 0 M END