HMDB0256606 RDKit 3D Pirmagrel 33 34 0 0 0 0 0 0 0 0999 V2000 5.3044 -0.3434 -1.1841 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7410 0.6280 -0.6254 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3628 1.8659 -0.7364 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4835 0.4125 0.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0940 -1.0233 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8288 -1.3912 0.7264 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6853 -0.6275 0.1476 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6379 -0.9482 0.8034 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6746 -0.1181 0.1287 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3805 0.7589 -0.8992 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3492 1.5320 -1.5274 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6558 1.4281 -1.1175 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9382 0.5510 -0.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1215 0.2440 0.5125 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8952 -0.6649 1.4576 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5755 -0.9152 1.4332 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9768 -0.1803 0.4919 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8768 2.6946 -0.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6641 1.0689 -0.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6158 0.7776 1.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9648 -1.6294 0.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0521 -1.2927 -1.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6604 -2.4828 0.5663 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9423 -1.2625 1.8165 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6108 -0.8800 -0.9179 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8439 0.4680 0.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8723 -2.0143 0.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6361 -0.8062 1.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3703 0.8691 -1.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0713 2.2031 -2.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4362 2.0078 -1.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0870 0.6865 0.2461 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0525 -1.6160 2.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 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 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 9 1 0 17 13 1 0 3 18 1 0 4 19 1 0 4 20 1 0 5 21 1 0 5 22 1 0 6 23 1 0 6 24 1 0 7 25 1 0 7 26 1 0 8 27 1 0 8 28 1 0 10 29 1 0 11 30 1 0 12 31 1 0 14 32 1 0 16 33 1 0 M END