HMDB0041866 RDKit 3D Deltamethrin 47 49 0 0 0 0 0 0 0 0999 V2000 2.0511 -1.1622 1.9813 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8532 -2.6216 1.6431 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3608 -3.5617 2.7468 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6719 -3.0783 0.8648 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2782 -2.1157 0.2758 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4056 -2.5230 -0.2975 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6507 -1.2779 -1.0680 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.7723 -4.4116 -0.3419 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.0816 -3.0574 0.2401 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3668 -2.0455 -0.7967 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9896 -2.3479 -1.8626 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9878 -0.7070 -0.6991 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2968 0.2212 -1.7439 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1582 1.3022 -1.2407 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8528 2.1440 -0.8368 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0638 0.8609 -2.2731 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8861 0.9667 -3.6262 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2531 1.5575 -4.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1898 2.0296 -3.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0743 1.9550 -1.8547 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0664 2.4582 -1.1352 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5365 2.5659 0.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0892 1.9504 1.2509 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6724 2.1560 2.4775 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7477 3.0006 2.6123 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2352 3.6436 1.4851 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6482 3.4336 0.2656 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0816 1.3567 -1.4115 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0105 -0.7741 1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2224 -1.0360 3.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2023 -0.5182 1.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2286 -3.0873 3.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6952 -4.5233 2.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5564 -3.6339 3.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2256 -4.0787 1.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1035 -1.0304 0.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4645 -4.0742 -0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8424 -0.2797 -2.5687 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 0.6074 -4.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3930 1.6412 -5.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0697 2.4859 -3.6775 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2683 1.2798 1.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2805 1.6497 3.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2387 3.1956 3.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0868 4.3269 1.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0017 3.9166 -0.6287 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3121 1.2405 -0.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 3 6 7 1 0 6 8 1 0 4 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 3 0 13 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 20 28 2 0 9 2 1 0 28 16 1 0 27 22 1 0 1 29 1 0 1 30 1 0 1 31 1 0 3 32 1 0 3 33 1 0 3 34 1 0 4 35 1 1 5 36 1 0 9 37 1 1 13 38 1 6 17 39 1 0 18 40 1 0 19 41 1 0 23 42 1 0 24 43 1 0 25 44 1 0 26 45 1 0 27 46 1 0 28 47 1 0 M END