HMDB0247496 RDKit 3D Bis(sulfosuccinimidyl)suberate 54 55 0 0 0 0 0 0 0 0999 V2000 3.1907 -1.3558 -0.0468 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4523 -1.4615 -1.2661 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7378 -2.4844 -2.0638 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7723 -3.2955 -1.2818 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6502 -2.4826 -0.6875 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2662 -3.3899 0.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3634 -2.5539 0.7122 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1948 -1.8906 -0.3636 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2961 -1.0805 0.2797 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4096 -0.9696 1.5203 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2394 -0.4210 -0.5132 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2647 0.3197 0.0221 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0270 -0.0793 1.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0022 -1.1549 1.7955 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9668 1.0236 1.5455 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9994 1.9194 0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8852 3.6197 0.8696 S 0 0 0 0 0 6 0 0 0 0 0 0 -5.5869 3.7654 1.5964 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8648 4.5723 -0.2849 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1897 3.9134 1.8767 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7618 1.5830 -0.4207 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2190 2.2727 -1.2991 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3939 -0.6140 -1.7812 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0944 0.3477 -1.1123 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4912 1.5905 -1.7311 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3198 1.9030 -2.9305 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1423 2.4521 -0.7109 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7187 1.3974 0.2126 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9466 2.1266 1.8017 S 0 0 0 0 0 6 0 0 0 0 0 0 5.7234 2.8776 2.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3660 1.1259 2.8302 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2293 3.2315 1.6390 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5858 0.4128 0.2182 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1348 -0.2384 1.1767 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4508 -3.1742 -2.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1631 -2.0018 -2.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2655 -4.0312 -1.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2664 -3.9403 -0.5199 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9679 -1.6390 -0.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0166 -2.1824 -1.5758 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7378 -4.1115 -0.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2937 -3.9372 0.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9872 -3.0848 1.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8607 -1.7321 1.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5983 -1.1584 -0.9324 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6803 -2.6322 -1.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9462 0.5681 1.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5421 1.5413 2.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9254 1.7355 -0.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5331 3.0783 2.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3719 3.0043 -0.1305 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9255 3.1146 -1.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5921 0.8789 -0.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0855 2.7217 1.4626 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 17 19 2 0 17 20 1 0 16 21 1 0 21 22 2 0 2 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 2 0 29 32 1 0 28 33 1 0 33 34 2 0 21 12 1 0 33 24 1 0 3 35 1 0 3 36 1 0 4 37 1 0 4 38 1 0 5 39 1 0 5 40 1 0 6 41 1 0 6 42 1 0 7 43 1 0 7 44 1 0 8 45 1 0 8 46 1 0 15 47 1 0 15 48 1 0 16 49 1 0 20 50 1 0 27 51 1 0 27 52 1 0 28 53 1 0 32 54 1 0 M END