HMDB03327.mol Mrv0541 02231219412D 61 65 0 0 0 0 999 V2000 -1.8229 1.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6240 0.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7873 0.9563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4408 1.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0992 2.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4476 1.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1885 1.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1885 0.5397 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9526 0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 0.8475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0031 1.5731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1354 -0.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6075 -1.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7761 -1.3874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4268 -2.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0670 -2.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7920 -2.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4613 -2.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1999 -1.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1999 -0.9614 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9598 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4626 -1.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9985 -1.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1449 0.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2868 0.8475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5566 -2.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2871 -1.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0615 3.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7066 0.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5243 0.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9386 -0.5972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9349 0.8318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3073 2.3400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1236 2.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6355 1.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4278 3.2267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6710 -3.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4356 -3.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -4.4397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0861 -3.1152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0670 -3.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3395 -3.8894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3815 -3.4731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3395 -4.7068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2988 -2.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1144 -2.8823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6296 -2.2380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4149 -3.6507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7058 -0.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5246 -0.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9386 0.1695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9355 -1.2594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5897 2.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7097 2.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0628 3.3969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4766 3.1891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3470 3.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3470 4.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3675 4.7068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0615 4.7068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2932 0.1668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 1 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 7 1 0 0 0 0 9 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 13 1 0 0 0 0 15 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 19 2 0 0 0 0 21 24 1 0 0 0 0 2 24 2 0 0 0 0 11 33 1 0 0 0 0 10 25 1 0 0 0 0 25 29 1 0 0 0 0 17 26 1 0 0 0 0 16 41 1 0 0 0 0 26 37 1 0 0 0 0 23 45 1 0 0 0 0 22 27 1 0 0 0 0 27 49 1 0 0 0 0 5 28 1 0 0 0 0 1 53 1 0 0 0 0 28 57 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 2 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 2 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 2 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 46 48 2 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 50 52 2 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 54 56 2 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 60 2 0 0 0 0 49 61 1 0 0 0 0 M END