HMDB0243551 RDKit 3D Bioallethrin 48 49 0 0 0 0 0 0 0 0999 V2000 5.3880 2.3153 -0.6985 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0531 2.1741 -0.6794 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2353 2.5756 0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4463 1.5044 1.0976 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3380 0.2097 0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0636 -0.4852 -0.2703 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 -0.4415 1.7554 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1549 -0.7272 1.1849 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3471 -2.0060 1.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4211 -2.9102 1.5674 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6475 -2.3610 0.5041 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2399 -1.5809 -0.6242 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5425 -0.4624 -1.2722 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9599 0.0411 -2.4289 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2607 1.1736 -3.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1600 -0.5112 -3.1211 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8373 -1.4958 0.7163 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7007 -0.2497 1.5654 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1875 -2.1633 0.8894 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3317 0.4796 2.9269 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5759 1.7982 2.2553 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1505 2.9310 2.5761 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9807 2.0134 -1.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8527 2.7445 0.1735 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5901 1.7453 -1.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5822 3.4658 0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9358 2.9990 1.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5524 -0.3770 -1.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1233 -0.2517 -0.3328 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0239 -1.6014 -0.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8523 -1.4013 2.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8640 -3.4731 0.5557 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7725 -2.2425 -1.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6658 -0.0057 -0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6207 1.7393 -2.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6322 0.7985 -3.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0025 1.8704 -3.5652 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9078 -0.8206 -2.3547 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6225 0.2664 -3.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8528 -1.4041 -3.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0103 0.4906 1.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6947 0.2488 1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3346 -0.4644 2.5847 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5878 -2.0073 1.9158 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9526 -1.7287 0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1512 -3.2423 0.6904 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1549 0.2887 3.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3453 0.5410 3.3979 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 2 3 14 15 1 0 14 16 1 0 12 17 1 0 17 18 1 0 17 19 1 0 7 20 1 0 20 21 1 0 21 22 2 0 21 4 1 0 17 11 1 0 1 23 1 0 1 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 6 28 1 0 6 29 1 0 6 30 1 0 7 31 1 0 11 32 1 0 12 33 1 0 13 34 1 0 15 35 1 0 15 36 1 0 15 37 1 0 16 38 1 0 16 39 1 0 16 40 1 0 18 41 1 0 18 42 1 0 18 43 1 0 19 44 1 0 19 45 1 0 19 46 1 0 20 47 1 0 20 48 1 0 M END