HMDB0254825 RDKit 3D Modrastane 51 55 0 0 0 0 0 0 0 0999 V2000 -2.5811 1.6243 1.6708 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4188 0.3737 0.8395 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7218 -0.7261 1.5868 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2396 -0.5490 1.6713 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3265 -0.0240 0.3706 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6549 -0.2739 -0.7107 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1397 -0.0627 -2.0977 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3020 -0.3465 -2.2862 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1885 0.0940 -1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2474 1.5333 -1.0789 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4160 0.6772 -1.2609 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3205 0.5961 -0.1155 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6646 1.0072 -0.2203 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9190 0.1447 1.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8528 0.0806 2.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5878 0.0416 3.0395 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5590 -0.3153 1.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7127 -0.5539 0.0934 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6760 -2.0584 -0.1591 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8067 0.7131 -0.4715 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8587 0.6137 -1.5281 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1839 0.5834 -0.8041 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8202 -0.1200 0.4863 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7150 -1.5007 0.2830 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6683 1.9081 2.2076 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8007 2.4654 0.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4144 1.5002 2.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1129 -0.6840 2.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0141 -1.7381 1.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2008 -1.5809 1.7972 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0068 0.1035 2.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4311 1.0790 0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0689 -1.3004 -0.6048 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4304 0.9498 -2.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7134 -0.7696 -2.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4716 -1.4188 -2.5633 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6424 0.2262 -3.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9215 0.8467 -2.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8318 2.0072 -0.2434 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0776 0.4490 1.9701 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6390 -1.2299 1.9491 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7574 -2.3566 -0.6925 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8010 -2.5921 0.8071 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5487 -2.3710 -0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3487 1.7350 -0.4091 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7144 -0.2420 -2.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8201 1.5715 -2.1179 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5693 1.5709 -0.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9232 0.0122 -1.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5393 0.0440 1.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8240 -1.7377 -0.6728 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 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 2 0 14 15 1 0 15 16 3 0 14 17 1 0 17 18 1 0 18 19 1 0 6 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 20 2 1 0 23 2 1 0 18 5 1 0 11 9 1 0 18 9 1 0 1 25 1 0 1 26 1 0 1 27 1 0 3 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 5 32 1 0 6 33 1 0 7 34 1 0 7 35 1 0 8 36 1 0 8 37 1 0 11 38 1 0 13 39 1 0 17 40 1 0 17 41 1 0 19 42 1 0 19 43 1 0 19 44 1 0 20 45 1 0 21 46 1 0 21 47 1 0 22 48 1 0 22 49 1 0 23 50 1 0 24 51 1 0 M END