HMDB0252285 RDKit 3D Bis((hexahydro-4-methyl-1H-1,4-diazepin-1-yl)thiocarbonyl)disulfide 48 49 0 0 0 0 0 0 0 0999 V2000 -6.7569 -1.2885 0.0437 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8901 -0.5923 0.9273 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8795 0.8201 0.8099 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3746 1.3560 -0.4862 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8655 1.4547 -0.5353 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2338 0.2040 -0.1906 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8778 0.2561 0.1628 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0945 -1.1070 0.5637 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9808 1.7930 0.1846 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0422 1.5028 0.7635 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0878 1.1897 -0.6314 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4639 1.1526 -2.1281 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 0.9712 -0.4491 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2872 0.7177 -1.6245 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9214 -0.6567 -1.5589 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7017 -1.3115 -0.2186 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4912 -0.7675 0.8336 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8527 -1.2347 0.8359 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3492 0.6360 1.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9117 1.0264 0.9182 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8369 -1.1028 -0.1666 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6186 -1.2080 1.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9339 -0.8200 -0.9262 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7264 -1.4785 0.5305 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3066 -2.3061 -0.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2721 1.2445 1.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9237 1.1966 0.9662 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6850 0.7709 -1.3694 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7741 2.3827 -0.6185 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5001 2.3011 0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5862 1.7121 -1.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6329 0.8461 -2.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0832 1.4698 -1.6705 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9747 -0.6314 -1.8726 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3788 -1.2887 -2.3126 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6222 -1.2606 -0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9560 -2.3793 -0.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1146 -1.5896 1.8554 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0489 -1.9973 0.0528 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5460 -0.3871 0.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0123 1.2584 0.4278 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6459 0.8389 2.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2908 0.3525 1.5341 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7592 2.0724 1.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0955 -1.9233 -0.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5791 -1.2541 -0.9842 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7676 -2.2617 1.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0818 -0.6799 1.9354 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 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 6 21 1 0 21 22 1 0 22 2 1 0 20 13 1 0 1 23 1 0 1 24 1 0 1 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 14 32 1 0 14 33 1 0 15 34 1 0 15 35 1 0 16 36 1 0 16 37 1 0 18 38 1 0 18 39 1 0 18 40 1 0 19 41 1 0 19 42 1 0 20 43 1 0 20 44 1 0 21 45 1 0 21 46 1 0 22 47 1 0 22 48 1 0 M END