HMDB0256940 RDKit 3D Pyraclostrobin 45 47 0 0 0 0 0 0 0 0999 V2000 -7.0593 -0.2651 -0.7033 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6666 -0.4449 -0.4098 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8471 0.6719 -0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4527 1.7739 -0.4084 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4706 0.6980 0.0165 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9472 1.9716 0.1184 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9928 2.5513 -1.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6609 -0.4560 0.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0386 -1.7018 -0.2933 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2810 -2.8552 -0.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0710 -2.7582 0.5508 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6966 -1.5208 1.0165 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4434 -0.3579 0.8567 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9558 0.9172 1.3958 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2486 0.9288 2.0449 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5420 0.7060 1.7044 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5381 0.8031 2.6868 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7178 0.5400 2.0648 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4857 0.2900 0.7498 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5326 0.0186 -0.1658 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7313 0.7629 -1.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7922 0.4980 -2.1696 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6980 -0.5141 -1.9007 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0633 -0.8216 -2.9819 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.5144 -1.2605 -0.7594 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4452 -0.9904 0.0887 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1935 0.3950 0.5788 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6970 -0.2904 0.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3474 -1.0785 -1.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1994 0.6952 -1.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8680 3.2335 -1.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0109 1.7850 -1.9453 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0756 3.1823 -1.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9864 -1.7734 -0.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6472 -3.8051 -0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4495 -3.6364 0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2656 -1.4467 1.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8578 1.6502 0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7261 1.3840 2.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4088 1.0397 3.7291 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7010 0.5317 2.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0377 1.5406 -1.5344 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9645 1.0754 -3.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2334 -2.0554 -0.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3351 -1.6115 0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 5 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 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 25 26 2 0 19 27 1 0 13 8 1 0 27 16 2 0 26 20 1 0 1 28 1 0 1 29 1 0 1 30 1 0 7 31 1 0 7 32 1 0 7 33 1 0 9 34 1 0 10 35 1 0 11 36 1 0 12 37 1 0 14 38 1 0 14 39 1 0 17 40 1 0 18 41 1 0 21 42 1 0 22 43 1 0 25 44 1 0 26 45 1 0 M END