HMDB0029464 RDKit 3D Asteltoxin 60 62 0 0 0 0 0 0 0 0999 V2000 -6.2289 -1.7286 -1.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2529 -0.5782 -1.2831 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5382 0.0561 0.0564 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3870 -0.8111 1.1098 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0498 -0.7402 1.5086 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3292 -1.5599 0.6560 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0234 -1.0234 0.7056 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4745 -1.3862 2.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1931 -1.4130 2.2328 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8057 -1.0957 1.2237 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0978 -1.1267 1.4444 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0858 -0.7988 0.3989 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3506 -0.8437 0.6591 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5160 -0.5935 -0.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6782 -0.9279 0.4855 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8401 -0.7686 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8732 -1.1137 0.5631 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9833 -0.2270 -1.3093 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8437 0.1435 -1.9694 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8995 0.6975 -3.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1494 0.8815 -3.8531 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6184 -0.0559 -1.3235 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4272 0.4028 -2.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2892 0.4491 0.5269 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2386 1.1534 1.1132 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5925 0.6708 1.2318 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4251 1.5040 2.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6516 1.2504 0.3224 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4722 2.3235 0.9566 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0547 1.7071 -0.8590 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4938 -2.1604 -0.4659 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1641 -1.4184 -1.9614 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7025 -2.5597 -1.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5007 0.1543 -2.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2296 -0.9321 -1.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6096 0.3984 0.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0205 -1.0182 2.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4284 -1.4353 -0.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1141 -1.6504 2.8772 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 -1.6885 3.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4584 -0.8201 0.2418 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 -1.4048 2.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7767 -0.5458 -0.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5390 -1.1443 1.7382 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9847 -0.1043 -1.7465 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7196 -0.0799 -3.8848 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7826 1.6196 -3.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0571 1.2895 -4.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7627 0.9338 -3.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7956 1.1165 -1.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8984 -0.4738 -2.4666 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3491 0.6477 -0.5613 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7617 1.6292 0.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4125 1.3763 2.9231 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4378 2.5792 2.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1556 1.3148 3.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5510 2.2778 0.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1351 3.3468 0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4779 2.3330 2.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8091 1.9713 -1.4654 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 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 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 20 21 1 0 19 22 1 0 22 23 1 0 7 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 28 30 1 0 28 3 1 0 26 5 1 0 22 14 2 0 1 31 1 0 1 32 1 0 1 33 1 0 2 34 1 0 2 35 1 0 3 36 1 0 5 37 1 0 7 38 1 0 8 39 1 0 9 40 1 0 10 41 1 0 11 42 1 0 12 43 1 0 13 44 1 0 18 45 1 0 21 46 1 0 21 47 1 0 21 48 1 0 23 49 1 0 23 50 1 0 23 51 1 0 24 52 1 0 25 53 1 0 27 54 1 0 27 55 1 0 27 56 1 0 29 57 1 0 29 58 1 0 29 59 1 0 30 60 1 0 M END