HMDB0256740 RDKit 3D Preclamol 37 38 0 0 0 0 0 0 0 0999 V2000 -4.3346 0.9638 -0.3976 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8419 0.7619 1.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3408 0.9295 1.1078 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6356 -0.0168 0.2729 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7355 -1.3611 0.6927 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4302 -2.0787 0.8651 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3916 -1.8965 -0.3717 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5418 -0.4614 -0.7963 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9394 0.0190 -0.6745 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5571 0.4695 -1.8308 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8576 0.9310 -1.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5143 0.9327 -0.5896 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8938 0.4790 0.5788 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 0.5103 1.7512 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6114 0.0245 0.5335 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3316 0.4746 -0.0174 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5845 -0.0046 -0.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5723 1.4784 -1.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2738 1.5656 -0.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1812 -0.2334 1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2887 1.5497 1.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1156 1.9555 0.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9916 0.9019 2.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2933 -1.4758 1.6705 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3347 -1.9244 -0.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0954 -1.8282 1.7967 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 -3.1817 0.9211 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0872 -2.4953 -1.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3911 -2.3863 -0.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2485 -0.3776 -1.8575 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0697 0.4837 -2.7962 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3579 1.2872 -2.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5358 1.2899 -0.5293 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5727 0.8493 1.7766 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1015 -0.3304 1.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1908 0.7812 0.9109 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4502 1.4141 -0.6193 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 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 13 15 2 0 8 16 1 0 16 4 1 0 15 9 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 5 24 1 0 5 25 1 0 6 26 1 0 6 27 1 0 7 28 1 0 7 29 1 0 8 30 1 0 10 31 1 0 11 32 1 0 12 33 1 0 14 34 1 0 15 35 1 0 16 36 1 0 16 37 1 0 M END