HMDB0031767 RDKit 3D Benomyl 39 40 0 0 0 0 0 0 0 0999 V2000 5.6079 0.2069 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4461 1.1609 -0.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1492 0.4389 -0.3185 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0067 1.4328 -0.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7384 0.8189 -0.5348 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1611 -0.0011 0.2645 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7927 -0.3354 1.4475 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1017 -0.5636 -0.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2618 0.0914 -0.2856 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4585 1.5028 -0.2802 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2916 2.0661 0.5131 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0327 1.3126 1.3976 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4609 3.4335 0.4961 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8750 4.1487 -0.5857 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2098 -0.8172 -0.5346 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7069 -2.0659 -0.4643 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2662 -3.3165 -0.6367 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4879 -4.4561 -0.4996 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1552 -4.3037 -0.1898 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6173 -3.0428 -0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3732 -1.8977 -0.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5164 0.8086 0.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8042 -0.1951 -1.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4864 -0.6150 0.6567 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3854 1.6816 0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6128 1.8691 -0.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2124 -0.0498 -1.3159 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9525 -0.2970 0.4797 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 2.1648 -1.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0694 2.0125 0.6329 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4838 0.0367 2.3385 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7617 0.7047 0.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7705 4.0135 -0.6229 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0601 5.2256 -0.3789 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3743 3.8995 -1.5421 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3112 -3.4569 -0.8804 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8972 -5.4591 -0.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5494 -5.2024 -0.0835 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4185 -2.9547 0.2179 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 2 3 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 3 11 12 1 0 11 13 1 0 13 14 1 0 9 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 8 1 0 21 16 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 7 31 1 0 12 32 1 0 14 33 1 0 14 34 1 0 14 35 1 0 17 36 1 0 18 37 1 0 19 38 1 0 20 39 1 0 M END