HMDB0251485 RDKit 3D Disuccinimidyl suberate 46 47 0 0 0 0 0 0 0 0999 V2000 -3.4866 0.6141 -0.5988 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5007 0.0058 0.5107 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1996 -0.2313 1.2324 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0905 0.3985 0.4359 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2673 0.2815 1.0868 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2609 0.9921 0.1843 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4274 0.3863 -1.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0336 -1.0183 -1.0571 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4192 -0.8763 -0.4615 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8171 -1.7940 0.2707 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1945 0.2046 -0.7196 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4490 0.4911 -0.2784 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2593 1.4515 -1.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8008 2.4251 -1.6575 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6723 1.0055 -0.8187 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6317 0.4577 0.5816 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2117 0.0460 0.8177 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7604 -0.5829 1.8062 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7053 -0.4122 1.0164 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9193 -0.2167 0.4377 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3567 -0.3859 -0.8882 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6086 -0.3884 -1.8970 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8422 -0.5646 -0.9128 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2917 0.1287 0.3411 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0706 0.2352 1.1726 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0881 0.6701 2.3566 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2391 0.1507 2.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0700 -1.3513 1.2785 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0510 -0.1015 -0.5684 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3267 1.4934 0.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2572 0.8101 2.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5502 -0.7538 1.3064 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2691 1.0290 0.6757 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9006 2.0174 0.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5024 0.2917 -1.7378 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1427 1.0096 -1.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4124 -1.6966 -0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1693 -1.3868 -2.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3853 1.8523 -0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8302 0.1966 -1.5493 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3183 -0.4234 0.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9395 1.2301 1.3236 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0135 -1.6507 -0.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2780 -0.1209 -1.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0088 -0.4927 0.9403 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7355 1.1230 0.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 9 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 2 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 17 12 1 0 25 20 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 15 39 1 0 15 40 1 0 16 41 1 0 16 42 1 0 23 43 1 0 23 44 1 0 24 45 1 0 24 46 1 0 M END