HMDB0035613 RDKit 3D Epioxylubimin 42 43 0 0 0 0 0 0 0 0999 V2000 -4.2474 1.4145 -0.2913 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3735 0.5013 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7717 -0.4865 1.1293 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0401 0.4744 -0.4942 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6424 -0.9119 -1.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1604 -0.6672 -1.2298 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3311 0.1651 -0.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9268 0.6637 0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1238 1.3116 -0.6831 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2796 2.4628 0.2224 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1675 2.4938 1.4062 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4090 0.9041 -1.2835 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1488 -0.2234 -0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7903 -0.9849 -1.7051 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3772 -1.2074 0.1213 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2248 -1.7268 1.1370 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2491 -0.5400 0.8524 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5642 -1.4520 1.8298 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2308 1.4395 0.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0035 2.1559 -1.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1480 -0.3742 2.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8323 -0.3348 1.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6268 -1.5024 0.7054 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9041 1.1576 -1.3502 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1740 -1.0943 -1.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8455 -1.6853 -0.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1027 -0.1033 -2.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3524 -1.6036 -1.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9484 1.7215 0.8003 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2472 0.0305 1.4151 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4506 1.6845 -1.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5341 3.4220 -0.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2807 0.7054 -2.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0759 1.8209 -1.2819 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9931 0.1530 -0.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8588 -1.9223 -1.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0744 -2.1201 -0.4346 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8434 -1.0030 1.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7537 0.2412 1.4843 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3850 -2.0441 2.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1396 -0.8240 2.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1818 -2.1120 1.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 2 0 9 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 8 4 1 0 17 7 1 0 1 19 1 0 1 20 1 0 3 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 5 25 1 0 5 26 1 0 6 27 1 0 6 28 1 0 8 29 1 0 8 30 1 0 9 31 1 0 10 32 1 0 12 33 1 0 12 34 1 0 13 35 1 0 14 36 1 0 15 37 1 0 16 38 1 0 17 39 1 0 18 40 1 0 18 41 1 0 18 42 1 0 M END