HMDB0034450 RDKit 3D Neocnidilide 32 33 0 0 0 0 0 0 0 0999 V2000 3.3420 0.7366 1.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2180 0.0945 -0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6096 -1.2874 -0.2507 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2391 -1.2902 0.3402 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3247 -0.4428 -0.5044 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2433 -0.9442 -1.8499 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9115 -0.3249 -2.3775 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1757 -0.2047 -3.6151 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7336 0.1445 -1.2813 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7639 0.9512 -1.1622 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4197 1.2555 0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9699 0.3442 1.2105 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4642 0.1841 1.1772 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1233 -0.5501 -0.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7961 1.7230 1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9513 0.1136 1.8429 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4149 1.0018 1.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 0.7746 -0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2212 -0.0429 -0.8276 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5813 -1.7671 -1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2684 -1.8803 0.4368 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2216 -0.8539 1.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8891 -2.3203 0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6641 0.6077 -0.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1983 1.4518 -2.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2157 2.3149 0.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5135 1.0972 -0.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2483 0.7481 2.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3960 -0.6796 1.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9163 1.1263 1.2746 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 -0.4668 2.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4102 -1.6141 -0.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 5 1 0 14 9 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 10 25 1 0 11 26 1 0 11 27 1 0 12 28 1 0 12 29 1 0 13 30 1 0 13 31 1 0 14 32 1 0 M END