HMDB0240247 RDKit 3D Pimethixene 40 43 0 0 0 0 0 0 0 0999 V2000 4.1342 -0.2557 -1.4372 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5456 0.2074 -0.1988 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5518 1.2266 -0.5458 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4327 1.0767 0.4137 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6089 -0.1093 0.0925 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6941 -0.0328 -0.1138 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3356 1.3113 -0.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6876 2.4131 -0.5834 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3379 3.6117 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6558 3.8036 -0.4264 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2856 2.6999 0.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6386 1.5264 0.2731 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6304 0.2222 0.9847 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8384 -1.2798 0.4559 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6540 -2.3906 0.4893 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1029 -3.6096 0.1736 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7715 -3.6634 -0.1606 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9781 -2.5157 -0.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5026 -1.2763 0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5502 -1.2462 0.0978 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9835 -0.8376 0.5696 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4563 -0.8535 -2.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1084 -0.7524 -1.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3769 0.6610 -2.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0016 2.2257 -0.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1770 0.9696 -1.5805 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9617 1.9328 0.8612 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0372 0.7791 1.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3103 2.3175 -0.9907 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7790 4.4584 -1.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1614 4.7489 -0.5674 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3390 2.8507 0.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7010 -2.3506 0.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6965 -4.5100 0.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2889 -4.5870 -0.4143 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0158 -2.6094 -0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3441 -1.9872 0.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8044 -1.5967 -0.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6031 -1.7625 0.2956 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0752 -0.8161 1.6489 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 2 3 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 5 20 1 0 20 21 1 0 21 2 1 0 19 6 1 0 12 7 1 0 19 14 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 8 29 1 0 9 30 1 0 10 31 1 0 11 32 1 0 15 33 1 0 16 34 1 0 17 35 1 0 18 36 1 0 20 37 1 0 20 38 1 0 21 39 1 0 21 40 1 0 M END