B3V5OE -OEChem-04022110513D 59 60 0 0 0 0 0 0 0999 V2000 -8.7138 0.5282 -0.3548 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.0742 0.2943 -1.7359 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3292 1.5795 0.4248 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2715 -1.4559 0.2282 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5823 -2.0079 -0.0365 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2326 0.3277 0.3924 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0121 0.6889 -0.2496 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0078 1.4298 0.9795 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7525 -0.0158 -0.9387 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4845 1.0548 1.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2243 -0.4193 -0.8602 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8153 0.6798 0.3157 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9572 -0.5811 0.2913 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9097 -0.9974 0.5294 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4729 -0.2457 0.2337 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0396 0.3897 -0.1843 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6360 -1.3421 0.1608 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6386 1.7996 -0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5109 0.4033 -0.1099 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1663 1.7521 -0.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4131 -1.1113 0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8607 -0.9911 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2290 -0.0808 0.1018 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4316 -2.4879 0.1524 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6175 0.0346 0.0343 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8201 -2.3726 0.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7687 3.1467 -0.1527 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9023 2.3407 0.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6354 1.6567 1.9859 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2012 -0.8582 -1.3694 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6440 0.8326 -1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6012 0.2197 1.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0289 1.9185 1.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5884 -0.6238 -1.8723 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3149 -1.3324 -0.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6007 1.3245 -0.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5230 1.2489 1.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1539 -1.1944 1.1807 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1992 -1.2181 -0.5674 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9842 -1.1882 0.6037 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4531 -1.8185 -0.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5037 -0.9104 1.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2178 0.3538 1.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2870 0.3227 -0.6863 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3549 -0.1378 -1.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4377 -0.1829 0.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2626 2.3671 -1.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3112 2.3267 0.7335 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2119 0.9553 0.7889 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1255 0.9201 -0.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5437 1.1638 0.6329 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4987 1.2531 -1.1292 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6737 0.8507 0.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9748 -3.4727 0.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0345 1.0356 -0.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4173 -3.2806 0.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4352 3.7539 -1.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4824 3.6592 0.7713 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8612 3.0894 -0.1847 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 7 1 0 0 0 0 1 14 1 0 0 0 0 4 15 1 0 0 0 0 4 17 1 0 0 0 0 5 22 2 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 15 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 23 2 0 0 0 0 17 24 1 0 0 0 0 18 20 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 22 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 27 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 22 1 0 0 0 0 21 25 2 0 0 0 0 21 26 1 0 0 0 0 23 25 1 0 0 0 0 23 53 1 0 0 0 0 24 26 2 0 0 0 0 24 54 1 0 0 0 0 25 55 1 0 0 0 0 26 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 M END $$$$