HMDB0036549 RDKit 3D Apotrichothecene 41 43 0 0 0 0 0 0 0 0999 V2000 3.9247 -0.7471 1.3483 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7540 -0.3169 0.5197 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9857 0.6896 0.8942 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8550 1.1168 0.1052 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2459 1.6003 0.8715 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1791 0.6208 0.8816 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0835 -0.3689 1.9553 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0793 -1.1116 2.0614 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6369 1.0206 0.8445 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2466 -0.2129 0.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0867 -0.9036 -0.5632 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1144 0.1577 -0.5592 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7351 1.2729 -1.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2805 0.1167 -0.8747 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5660 0.7693 -2.2583 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 -1.1847 -0.9682 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4669 -1.0505 -0.7157 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8221 -0.3990 2.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0439 -1.8572 1.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8306 -0.3400 0.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 1.2348 1.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1892 2.0778 -0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9491 -1.0368 2.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0902 0.2223 2.9308 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3025 -1.3656 2.9812 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8700 1.9644 0.3992 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9848 1.0693 1.9188 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5951 -0.9415 0.9788 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0852 0.0332 -0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4822 -1.0787 -1.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8476 -1.8692 -0.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4769 0.9568 -2.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8418 1.2131 -1.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3442 2.2541 -1.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2577 0.1449 -3.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7010 0.7516 -2.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3178 1.8259 -2.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5948 -2.0253 -0.4032 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9080 -1.5331 -2.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8570 -2.1033 -0.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9936 -0.6670 -1.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 6 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 2 1 0 14 4 1 0 12 6 1 0 1 18 1 0 1 19 1 0 1 20 1 0 3 21 1 0 4 22 1 0 7 23 1 0 7 24 1 0 8 25 1 0 9 26 1 0 9 27 1 0 10 28 1 0 10 29 1 0 11 30 1 0 11 31 1 0 13 32 1 0 13 33 1 0 13 34 1 0 15 35 1 0 15 36 1 0 15 37 1 0 16 38 1 0 16 39 1 0 17 40 1 0 17 41 1 0 M END