HMDB0253195 RDKit 3D Pibenzimol 56 61 0 0 0 0 0 0 0 0999 V2000 8.3363 1.5802 -1.2151 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7591 0.5537 -2.0630 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5037 0.9373 -2.6192 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3575 0.0081 -2.2939 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3549 -0.4220 -0.9220 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2009 -0.5350 -0.1133 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3372 -0.9312 1.1943 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3065 -1.0828 2.0859 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0195 -0.8113 1.6211 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8035 -0.8456 2.1778 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1617 -0.4870 1.2984 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5845 -0.4053 1.5335 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1083 -0.7093 2.7588 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4692 -0.6410 3.0181 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2845 -0.2463 1.9679 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6354 -0.0764 1.8783 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9887 0.3222 0.6479 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3384 0.6041 0.1769 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4133 0.4738 1.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7151 0.7409 0.5753 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9071 1.1412 -0.7228 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1905 1.4243 -1.2231 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8452 1.2816 -1.5897 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5698 1.0085 -1.1208 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8369 0.4077 -0.0604 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8021 0.0690 0.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4270 -0.0198 0.5243 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5079 -0.2185 0.1370 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8254 -0.4104 0.3183 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9194 -0.2740 -0.5443 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6387 -0.7630 -0.3427 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7493 -0.6955 -1.3714 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5956 1.9730 -0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1517 1.1276 -0.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6851 2.4432 -1.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6339 0.9560 -3.7395 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2907 1.9872 -2.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4730 -0.8829 -2.9706 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4352 0.5111 -2.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3360 -1.1555 1.6024 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4216 -1.3940 3.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4299 -1.0172 3.5627 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8933 -0.8776 3.9772 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2492 -0.2497 2.6911 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3194 0.1657 2.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5670 0.6404 1.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6706 0.6317 -1.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9426 1.5926 -2.6171 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7356 1.1178 -1.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0738 0.2354 -0.4733 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0142 0.0862 -0.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7723 0.0402 -1.5692 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5331 -1.7809 0.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8530 -0.0900 0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7050 -0.7786 -0.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6389 -1.5674 -2.0332 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 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 2 0 17 25 2 0 25 26 1 0 26 27 2 0 11 28 1 0 28 29 1 0 29 30 2 0 5 31 1 0 31 32 1 0 32 2 1 0 30 6 1 0 29 9 1 0 27 12 1 0 26 15 1 0 24 18 1 0 1 33 1 0 1 34 1 0 1 35 1 0 3 36 1 0 3 37 1 0 4 38 1 0 4 39 1 0 7 40 1 0 8 41 1 0 13 42 1 0 14 43 1 0 16 44 1 0 19 45 1 0 20 46 1 0 22 47 1 0 23 48 1 0 24 49 1 0 27 50 1 0 28 51 1 0 30 52 1 0 31 53 1 0 31 54 1 0 32 55 1 0 32 56 1 0 M END