HMDB0036594 RDKit 3D Botryodiplodin 22 22 0 0 0 0 0 0 0 0999 V2000 2.4448 -0.5175 0.6036 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7678 0.1465 -0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4822 0.8147 -1.2669 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3473 0.0572 -0.8422 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1451 -1.3432 -1.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5262 -1.1773 -0.9200 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5710 -0.5984 0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8136 -0.0246 0.6209 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4674 0.4238 0.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0257 1.8156 0.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 0.2513 1.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8100 -1.3054 1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4113 -0.8907 0.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0846 0.6702 -1.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0008 -1.6480 -2.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1930 -2.0636 -0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3982 -1.4074 1.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9469 0.0097 1.6062 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1302 0.3827 1.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5124 1.7501 -0.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7312 2.1410 0.9176 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1591 2.5132 0.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 9 4 1 0 1 11 1 0 1 12 1 0 1 13 1 0 4 14 1 0 5 15 1 0 5 16 1 0 7 17 1 0 8 18 1 0 9 19 1 0 10 20 1 0 10 21 1 0 10 22 1 0 M END