BRCP42 -OEChem-04022104353D 43 42 0 1 0 0 0 0 0999 V2000 -2.0784 2.0435 0.6693 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5767 0.5145 -2.1327 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5781 -1.6932 0.6804 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7051 -0.9842 2.1112 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9879 -1.8272 0.4423 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8930 -0.3224 0.6537 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0307 -2.2796 0.8037 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2714 0.0080 -0.2795 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0922 -1.2196 -1.0123 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4051 0.7371 -0.4787 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0072 0.0093 -0.9520 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9808 0.4666 -0.6919 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6514 0.1875 0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1752 0.4642 0.2688 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6415 1.4022 -0.9799 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4665 0.2637 -0.9357 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9023 -1.0534 -0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3553 -0.8945 0.9216 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8356 3.5979 0.1465 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0936 -2.1844 -0.6221 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3178 4.3867 1.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1048 -1.6226 0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8325 -0.3031 -1.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1278 -0.2861 -1.4787 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9226 1.4390 -1.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6518 -0.8159 0.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4938 0.9149 0.8173 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0589 1.2290 1.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5518 1.3917 -1.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9455 2.1118 -1.4414 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2861 -0.1677 0.7214 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2743 -0.6614 -1.8406 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3287 1.6416 -0.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1878 0.8172 0.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6820 3.3851 -0.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1018 4.1898 -0.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6048 -3.0442 -0.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6154 -2.4954 -1.5314 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0734 3.8329 1.9169 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4917 4.6393 2.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7747 5.3260 1.0199 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8140 -1.8686 2.5214 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5635 0.0196 1.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 19 1 0 0 0 0 2 16 2 0 0 0 0 3 17 2 0 0 0 0 4 18 1 0 0 0 0 4 42 1 0 0 0 0 5 18 2 0 0 0 0 6 22 1 0 0 0 0 6 43 1 0 0 0 0 7 22 2 0 0 0 0 8 11 1 0 0 0 0 8 16 1 0 0 0 0 8 31 1 0 0 0 0 9 17 1 0 0 0 0 9 20 1 0 0 0 0 9 32 1 0 0 0 0 10 14 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 15 1 0 0 0 0 11 17 1 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 16 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 18 1 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 19 21 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 22 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 M END $$$$