HMDB0015406 RDKit 3D Glisoxepide 58 60 0 0 0 0 0 0 0 0999 V2000 12.0521 -0.9786 0.2507 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6625 -0.4818 0.5318 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5324 -0.6340 -0.2228 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4924 -0.0163 0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0906 0.0708 -0.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7251 -0.5430 -1.0742 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1750 0.8287 0.7135 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8148 0.9470 0.3232 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0537 -0.3864 0.3051 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6464 -0.0893 -0.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3108 -0.2093 -1.4853 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0409 0.0950 -1.9319 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0463 0.5335 -1.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5434 0.9368 -1.6783 S 0 0 0 0 0 6 0 0 0 0 0 0 -1.4384 1.0370 -3.1872 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8962 2.3369 -1.1957 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7675 -0.1575 -1.2549 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9309 0.3570 -0.6096 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0251 1.6055 -0.3609 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9741 -0.5317 -0.2528 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1220 -0.1018 0.3635 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8720 0.9100 -0.1665 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1175 0.6512 -1.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1255 -0.2782 -0.2648 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3979 -0.8001 0.8069 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6537 -1.2879 1.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2487 -0.5605 1.7593 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3821 0.6531 0.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6663 0.3435 0.7095 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0303 0.4961 1.5518 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2899 0.2183 1.6046 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4945 -0.2906 -0.5043 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9120 -1.9660 -0.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6514 -1.0561 1.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4839 -1.1620 -1.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5115 1.3236 1.5863 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2496 1.5747 1.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6759 1.4422 -0.6611 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0852 -0.8746 1.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -1.0257 -0.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0696 -0.5496 -2.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7785 0.0027 -2.9912 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7072 -1.1664 -1.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8722 -1.5478 -0.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0788 1.8006 0.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2176 1.4154 -0.9577 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8164 0.1559 -1.9609 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5625 1.6420 -1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0501 0.3395 -0.0299 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5357 -1.0115 -1.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6312 -1.2439 0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2209 0.2680 1.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0444 -1.0656 2.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4717 -2.3898 1.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2271 0.2875 2.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4603 -1.2882 1.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3815 0.9908 0.9374 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9296 0.4311 1.7517 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 14 16 2 0 14 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 13 28 1 0 28 29 2 0 4 30 2 0 30 31 1 0 31 2 1 0 29 10 1 0 27 21 1 0 1 32 1 0 1 33 1 0 1 34 1 0 3 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 9 39 1 0 9 40 1 0 11 41 1 0 12 42 1 0 17 43 1 0 20 44 1 0 22 45 1 0 22 46 1 0 23 47 1 0 23 48 1 0 24 49 1 0 24 50 1 0 25 51 1 0 25 52 1 0 26 53 1 0 26 54 1 0 27 55 1 0 27 56 1 0 28 57 1 0 29 58 1 0 M END