HMDB0246983 RDKit 3D Disuccinimido dithiobispropionate 42 43 0 0 0 0 0 0 0 0999 V2000 -2.9113 -0.5719 0.2013 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6067 -1.4805 -0.2918 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0238 -2.6810 -0.8619 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5461 -2.7729 -0.9563 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7315 -1.5323 -1.9445 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6508 0.3634 -1.0134 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8951 0.5092 -0.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0699 0.5285 -0.9877 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3296 0.6105 -0.2263 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3276 0.6552 1.0321 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5513 0.6394 -0.8746 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7492 0.7087 -0.2391 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5829 1.8659 -0.1806 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2850 3.0651 -0.2219 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9717 1.3186 -0.0528 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7482 0.1403 0.8721 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4092 -0.3399 0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9406 -1.4689 0.7344 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9819 -1.2612 -0.2593 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6218 -0.1806 0.2383 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5802 0.3819 1.5468 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5774 0.3685 2.2816 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9569 0.9365 1.7541 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3207 1.4348 0.3882 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5294 0.6243 -0.5562 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6615 0.6665 -1.8017 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3426 -3.5931 -0.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4850 -2.9463 -1.8699 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2893 -3.7749 -1.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0546 -2.7948 0.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9735 -0.4197 0.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8809 1.4046 0.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0395 -0.3469 -1.6392 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9186 1.4298 -1.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6860 2.0234 0.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2855 0.9450 -1.0436 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7474 0.5362 1.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5241 -0.6442 0.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6081 0.0518 2.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9934 1.7085 2.5432 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0284 2.5255 0.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4142 1.3671 0.1875 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 7 31 1 0 7 32 1 0 8 33 1 0 8 34 1 0 15 35 1 0 15 36 1 0 16 37 1 0 16 38 1 0 23 39 1 0 23 40 1 0 24 41 1 0 24 42 1 0 M END