HMDB0030637 RDKit 3D Bergapten 24 26 0 0 0 0 0 0 0 0999 V2000 -1.9129 -2.2040 -0.3534 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3414 -1.3555 0.6100 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5642 -0.2613 0.3447 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1719 0.9835 0.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4802 1.4104 0.2373 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4586 2.7695 -0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2063 3.1558 -0.1892 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4151 2.1107 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 1.9965 -0.1946 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5838 0.7650 -0.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8858 0.6400 -0.1437 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5182 -0.5014 -0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7843 -0.5740 -0.1145 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7997 -1.6485 0.2634 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4239 -1.5994 0.3869 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8097 -0.3612 0.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2717 -3.0932 -0.5174 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9262 -2.4959 0.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0602 -1.6796 -1.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3107 0.7508 0.4321 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3298 3.4039 -0.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5381 2.8818 -0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3034 -2.6007 0.3809 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8483 -2.4931 0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 2 0 15 16 1 0 16 3 1 0 8 4 1 0 16 10 2 0 1 17 1 0 1 18 1 0 1 19 1 0 5 20 1 0 6 21 1 0 9 22 1 0 14 23 1 0 15 24 1 0 M END