BHC3S5 -OEChem-04042106353D 48 51 0 0 0 0 0 0 0999 V2000 -4.2991 0.8219 1.0630 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.2908 0.4724 2.4667 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1455 1.8829 0.5625 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5778 -0.5937 0.1373 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3144 2.0277 -0.5536 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7754 -0.7957 -0.0814 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4186 0.0861 0.1408 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3811 -1.9355 0.5229 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6249 1.9141 -0.9354 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7865 1.2913 -0.8647 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6601 -1.7349 0.4267 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7538 -0.3719 -1.3283 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2203 -3.0118 -0.1911 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3305 -1.6295 -1.9703 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4542 -2.8473 -1.6902 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6382 1.1793 0.5844 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3904 1.9980 -0.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5734 0.6427 1.3081 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0779 2.2801 -0.8957 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2607 0.9247 0.9298 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0129 1.7435 -0.1719 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6209 -0.5259 0.1991 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5158 1.3008 -0.4419 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7558 0.0782 -0.2952 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0636 -1.7635 0.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2642 -2.8205 1.3328 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1644 -0.6134 -0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5672 -1.8821 1.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6670 -1.5463 0.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4484 0.4545 -1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7935 -0.1299 -1.7951 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1695 -3.2682 0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5308 -3.8444 -0.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4271 -1.4837 -3.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3385 -1.8123 -1.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4910 -2.7326 -2.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9289 -3.7483 -2.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2041 2.4241 -1.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7423 0.0097 2.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8980 2.9180 -1.7572 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5340 0.5226 1.5491 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4175 2.8674 -1.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2877 -3.7379 0.7356 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6540 -3.0494 2.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2173 -2.5204 1.4447 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7561 -0.6643 0.4895 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4538 -1.4120 -1.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3044 0.3583 -0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 16 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 21 1 0 0 0 0 5 23 1 0 0 0 0 5 42 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 6 27 1 0 0 0 0 7 22 1 0 0 0 0 7 23 2 0 0 0 0 8 25 2 0 0 0 0 9 10 2 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 14 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 15 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 38 1 0 0 0 0 18 20 2 0 0 0 0 18 39 1 0 0 0 0 19 21 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 M END $$$$