HMDB0030106 RDKit 3D Neosilyhermin A 56 60 0 0 0 0 0 0 0 0999 V2000 -4.7738 -3.1531 -1.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4266 -2.3573 -0.1085 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8084 -1.3518 0.5998 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4822 -0.9918 0.4835 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8895 0.0242 1.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4759 0.4053 1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3016 1.8322 1.2432 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0326 2.1283 0.6889 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8967 3.1089 0.9627 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 4.0383 1.9370 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0854 3.1492 0.2331 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3145 2.1981 -0.7611 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3965 1.2214 -1.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5992 0.2023 -2.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7402 0.4949 -2.9988 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9846 -0.1803 -2.5716 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9615 -0.1520 -3.3536 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1356 -0.8730 -1.3009 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3566 -1.0802 -0.7172 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5401 -0.6682 -1.2425 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3914 -1.7596 0.5031 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2468 -2.2110 1.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3004 -2.8756 2.3083 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0302 -1.9755 0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9525 -1.3178 -0.7091 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7782 -1.0438 -1.4013 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2380 1.2182 -0.2959 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9557 0.3001 -0.3634 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9122 1.0289 -1.3075 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0048 2.3715 -0.9510 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7039 0.6976 2.0962 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0530 0.3497 2.2318 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6142 -0.6589 1.5011 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9606 -0.9839 1.6559 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5031 -3.4154 -1.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8677 -2.6947 -1.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4755 -4.1477 -0.6186 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8624 -1.5481 -0.2209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8273 -0.1363 1.7465 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 4.7816 2.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7780 3.9359 0.4874 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2331 2.2455 -1.3057 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6784 0.1038 -2.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9412 1.5611 -3.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4997 0.0339 -4.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7178 -0.1723 -2.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3496 -1.9313 0.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1896 -3.0343 2.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1175 -2.3310 0.9551 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7151 -0.7056 -0.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5305 0.9955 -2.3485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9081 0.5839 -1.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8302 2.8080 -1.2411 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2885 1.4873 2.6757 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6356 0.9268 2.9537 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5476 -0.4821 2.3058 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 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 2 0 25 26 1 0 13 27 2 0 27 28 1 0 28 29 1 0 29 30 1 0 5 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 33 3 1 0 28 6 1 0 27 8 1 0 26 14 1 0 25 18 1 0 1 35 1 0 1 36 1 0 1 37 1 0 4 38 1 0 6 39 1 0 10 40 1 0 11 41 1 0 12 42 1 0 14 43 1 0 15 44 1 0 15 45 1 0 20 46 1 0 21 47 1 0 23 48 1 0 24 49 1 0 28 50 1 0 29 51 1 0 29 52 1 0 30 53 1 0 31 54 1 0 32 55 1 0 34 56 1 0 M END