HMDB0250709 RDKit 3D Cys-cys 25 24 0 0 0 0 0 0 0 0999 V2000 -2.2887 -1.0960 0.7064 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0558 0.3261 0.6474 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9554 0.8826 -0.4399 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7109 0.5461 -0.0483 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6678 0.6730 0.3292 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3452 1.8853 0.2507 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3536 -0.2824 0.0998 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7173 0.0716 -0.2129 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6877 -0.4338 0.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3827 0.0363 0.3924 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0724 -0.4288 -1.5638 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2285 -1.0580 -2.2491 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3264 -0.2287 -2.1201 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7226 -1.4411 -0.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0105 -1.2736 1.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3052 0.7707 1.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8587 1.9738 -0.5612 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7622 0.3887 -1.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8488 -0.0893 1.1818 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0833 -1.2877 0.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8398 1.1758 -0.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4791 -0.0102 1.8211 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6656 -1.5548 0.8767 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6093 1.3738 0.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0863 -0.9193 -2.0400 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 2 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 8 11 1 0 11 12 2 0 11 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 4 19 1 0 7 20 1 0 8 21 1 0 9 22 1 0 9 23 1 0 10 24 1 0 13 25 1 0 M END