HMDB0014558 RDKit 3D Acetohexamide 42 43 0 0 0 0 0 0 0 0999 V2000 -7.7257 -0.0238 -1.2457 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9384 -0.9297 -0.3745 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4746 -2.0049 -0.0178 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5916 -0.5661 0.0418 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8630 -1.4263 0.8608 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -1.1070 1.2757 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9967 0.0783 0.8745 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3827 0.5252 1.3653 S 0 0 0 0 0 6 0 0 0 0 0 0 -1.1115 -0.0688 2.7140 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3225 2.0318 1.4220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1993 -0.0395 0.2482 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1648 0.2223 0.4932 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4933 0.8612 1.5192 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2069 -0.2067 -0.3758 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5936 0.0444 -0.1516 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -1.2188 -0.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8473 -0.8621 -0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1661 0.5772 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3733 1.5567 -0.8308 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1282 0.8233 -1.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6973 0.9457 0.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9942 0.6173 -0.3484 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5937 -0.5227 -1.6985 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0926 0.7999 -0.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0355 0.3481 -2.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2964 -2.3661 1.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0037 -1.7685 1.9094 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5503 -0.5652 -0.5846 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9290 -0.7380 -1.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7857 0.6200 0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1010 -1.9588 -0.8371 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3716 -1.6775 0.9638 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0817 -1.0454 -1.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5304 -1.5019 0.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0411 0.7125 1.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2406 0.7270 -0.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9541 2.0006 -1.6603 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9964 2.3400 -0.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3877 1.5075 -1.7597 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4208 0.0934 -2.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2326 1.8770 -0.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5559 1.2885 -0.9843 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 2 0 8 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 7 21 1 0 21 22 2 0 22 4 1 0 20 15 1 0 1 23 1 0 1 24 1 0 1 25 1 0 5 26 1 0 6 27 1 0 11 28 1 0 14 29 1 0 15 30 1 0 16 31 1 0 16 32 1 0 17 33 1 0 17 34 1 0 18 35 1 0 18 36 1 0 19 37 1 0 19 38 1 0 20 39 1 0 20 40 1 0 21 41 1 0 22 42 1 0 M END