HMDB0029400 RDKit 3D Ochratoxin C 52 54 0 0 0 0 0 0 0 0999 V2000 -3.3115 3.8314 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 3.1422 0.9078 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8912 1.9174 0.3808 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7418 0.8932 0.0287 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9715 1.0994 0.1979 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1712 -0.3618 -0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5112 -1.5581 0.3149 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9569 -1.8149 0.4459 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6303 -2.5887 -0.4731 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9904 -2.8321 -0.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7037 -2.3100 0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0410 -1.5337 1.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6820 -1.2963 1.4956 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7569 -0.2195 -0.6237 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2024 -0.8443 -0.1326 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0252 -1.9201 0.7082 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5620 -0.3949 -0.4806 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7910 0.6673 -1.3107 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0526 1.0954 -1.6424 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2633 2.4581 -2.7075 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.1371 0.4084 -1.1024 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9236 -0.6669 -0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6418 -1.0979 0.0718 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3786 -2.1516 0.8952 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0937 -1.3284 0.2582 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9731 -2.3062 1.0225 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3481 -0.8584 -0.1062 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5955 0.3696 -0.7067 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0538 1.3684 0.3345 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4650 0.9174 -1.4972 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3018 4.9037 0.1605 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3347 3.4176 0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9359 3.6248 -1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4912 3.7977 1.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8370 2.9355 1.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5529 -0.4592 -1.5642 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0501 -2.4580 -0.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1202 -1.4065 1.3337 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1300 -3.0192 -1.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5321 -3.4471 -1.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7824 -2.4929 0.8324 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6175 -1.1339 2.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2081 -0.6965 2.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1995 -1.9041 1.7089 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9344 1.1863 -1.7187 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8980 -2.7936 1.3986 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4621 0.2229 -1.4161 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3603 1.4536 1.1782 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1969 2.3489 -0.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0677 1.0446 0.6549 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5843 0.7510 -2.6023 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4268 2.0397 -1.3820 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 2 0 4 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 6 14 1 0 14 15 2 3 15 16 1 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 19 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 22 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 13 8 1 0 23 17 1 0 30 21 1 0 1 31 1 0 1 32 1 0 1 33 1 0 2 34 1 0 2 35 1 0 6 36 1 0 7 37 1 0 7 38 1 0 9 39 1 0 10 40 1 0 11 41 1 0 12 42 1 0 13 43 1 0 16 44 1 0 18 45 1 0 24 46 1 0 28 47 1 0 29 48 1 0 29 49 1 0 29 50 1 0 30 51 1 0 30 52 1 0 M END