HMDB0033340 RDKit 3D Mollicellin B 46 49 0 0 0 0 0 0 0 0999 V2000 -5.0582 -2.2666 0.4494 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5581 -0.9907 -0.0977 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4164 0.0615 -0.4629 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9576 1.2495 -0.9664 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8473 2.2501 -1.3091 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6143 1.4779 -1.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0906 2.7217 -1.6732 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8776 3.6383 -1.9887 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7288 0.4680 -0.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2179 -0.7007 -0.2995 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4084 -1.8644 0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0227 -2.9331 0.0075 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0954 -1.8291 0.5628 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1258 -0.8460 0.3027 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2794 0.3292 -0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8362 1.1452 -0.5238 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0606 0.8281 0.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1530 -0.3652 0.7157 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0767 -1.2140 0.8686 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2155 -2.4943 1.6268 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4505 -0.6935 1.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6713 -1.8405 1.6899 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4747 0.4090 1.3586 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4407 1.0660 -0.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5513 2.0571 -0.1938 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5959 -0.0509 -1.0349 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1701 1.6840 -0.1268 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4035 0.8805 -1.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6974 -2.5369 1.4597 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2672 -3.0663 -0.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1335 -2.0083 0.7457 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4782 -0.1320 -0.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8369 2.1971 -1.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0376 2.8721 -1.8005 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7321 2.0712 -1.0732 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8773 -3.2182 1.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5897 -2.2944 2.6495 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2076 -2.9854 1.6468 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4791 0.0061 1.5775 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1765 1.1765 2.1068 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4423 1.6710 0.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7683 2.1423 -1.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2866 3.0171 0.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6930 -0.1437 -1.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4860 0.1007 -1.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7180 -1.0460 -0.5587 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 4 6 2 0 6 7 1 0 7 8 2 0 6 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 18 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 24 26 1 0 24 27 1 0 15 28 1 0 10 2 1 0 19 14 1 0 28 9 1 0 27 17 1 0 1 29 1 0 1 30 1 0 1 31 1 0 3 32 1 0 5 33 1 0 7 34 1 0 16 35 1 0 20 36 1 0 20 37 1 0 20 38 1 0 23 39 1 0 23 40 1 0 25 41 1 0 25 42 1 0 25 43 1 0 26 44 1 0 26 45 1 0 26 46 1 0 M END