BCS2A9 -OEChem-04022111493D 63 65 0 1 0 0 0 0 0999 V2000 -6.8607 1.6079 -0.8003 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6251 1.1661 0.0032 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2511 -0.5873 0.0247 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1926 -0.2384 2.2134 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6977 3.5165 -1.3251 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9086 0.8321 -0.8433 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5883 0.0091 0.3743 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2186 -1.0420 0.4991 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2509 0.5958 -0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0090 1.0831 0.7467 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7260 -0.8526 -0.7387 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1910 0.1345 0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6050 -1.2020 0.4568 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7525 0.7496 -0.3654 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0506 1.5589 -1.2589 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0720 0.0803 0.6517 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5679 0.8728 0.9948 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5826 -1.3170 0.1290 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9330 -2.8041 0.2664 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0601 -3.7548 -0.5779 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2368 2.3285 0.7402 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9359 0.7552 0.3494 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4729 -0.4787 1.0409 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6683 1.6989 -1.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6899 0.2202 0.7755 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9879 1.0294 -0.1179 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2037 -3.4063 -2.0621 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4191 -5.2250 -0.3577 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9207 2.5786 -0.5756 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4908 0.0190 -0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9131 0.0718 0.5404 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5900 1.1940 -1.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4020 1.0328 1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3362 2.1229 0.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3328 -0.8849 -1.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9139 -1.5754 -0.8679 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5967 0.1121 1.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9936 0.4313 0.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3767 -1.9344 0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9934 -1.6179 1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5659 2.0865 -2.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5999 -0.5553 1.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6016 0.6354 2.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7302 -0.9811 -0.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9903 -2.9504 0.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8420 -3.0980 1.3213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0082 -3.6284 -0.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1629 2.5169 0.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6890 2.9825 1.4922 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7165 1.1494 1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7133 -0.2132 -0.6092 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1263 2.3301 -1.8339 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2005 -0.2973 1.5954 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7963 -1.6140 1.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2536 -3.4089 -2.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6687 -4.1341 -2.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7774 -2.4251 -2.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4561 -5.4272 -0.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7679 -5.8797 -0.9462 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3022 -5.4961 0.6968 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8471 0.1780 1.6293 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -0.8890 0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2188 -0.6462 -0.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 29 1 0 0 0 0 2 26 1 0 0 0 0 2 31 1 0 0 0 0 3 22 1 0 0 0 0 3 63 1 0 0 0 0 4 23 2 0 0 0 0 5 29 2 0 0 0 0 6 30 2 0 0 0 0 7 17 1 0 0 0 0 7 23 1 0 0 0 0 7 51 1 0 0 0 0 8 18 1 0 0 0 0 8 30 1 0 0 0 0 8 54 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 24 1 0 0 0 0 15 41 1 0 0 0 0 16 25 2 0 0 0 0 16 42 1 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 27 1 0 0 0 0 20 28 1 0 0 0 0 20 47 1 0 0 0 0 21 29 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 50 1 0 0 0 0 24 26 2 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 30 31 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 M END $$$$