HMDB0250550 RDKit 3D Cryptophycin 52 92 95 0 0 0 0 0 0 0 0999 V2000 8.2474 3.7010 3.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9891 2.3693 2.6411 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0199 2.0228 1.7077 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2402 2.9668 1.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2929 2.5800 0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0937 1.2433 -0.1582 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0685 0.8451 -1.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7186 0.5593 -0.5469 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2684 1.7695 0.1130 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 2.8285 -0.5631 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0299 4.0237 -0.3512 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4759 2.6582 -1.4789 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 1.9944 -1.1843 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9049 1.3219 0.1091 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7679 0.1091 -0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7572 0.0602 1.1029 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0038 0.0334 2.4196 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7763 1.1364 1.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5989 1.1035 -0.1144 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9022 2.3236 0.4296 C 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