B7BPQ2 -OEChem-04022105312D 47 49 0 1 0 0 0 0 0999 V2000 6.3301 -0.6340 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.1643 -1.1296 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9101 1.5787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1373 0.3755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3549 -2.5206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.8660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9101 -0.8467 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3214 -2.2638 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9089 -0.1087 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5384 0.6127 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.1340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2044 -0.1381 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2044 0.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8765 -0.5898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5822 -1.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5486 -1.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3245 -1.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9075 -0.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0941 -3.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4145 -0.9555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9654 -0.7102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -0.0263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -0.7166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7484 -1.4452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2908 -2.2916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.3291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4956 -3.3243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9324 -4.0846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6927 -3.6477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1505 0.5145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3174 1.1920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 20 1 0 0 0 0 2 27 1 0 0 0 0 2 29 1 0 0 0 0 3 17 2 0 0 0 0 4 21 1 0 0 0 0 4 26 1 0 0 0 0 5 22 1 0 0 0 0 5 38 1 0 0 0 0 6 22 2 0 0 0 0 7 23 2 0 0 0 0 8 12 1 0 0 0 0 8 30 1 0 0 0 0 9 26 2 0 0 0 0 10 15 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 16 11 1 1 0 0 0 11 23 1 0 0 0 0 11 35 1 0 0 0 0 12 24 2 0 0 0 0 13 25 1 0 0 0 0 13 29 2 0 0 0 0 14 29 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 6 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 27 2 0 0 0 0 26 28 1 0 0 0 0 27 39 1 0 0 0 0 28 40 1 0 0 0 0 28 41 1 0 0 0 0 28 42 1 0 0 0 0 30 43 1 0 0 0 0 30 44 1 0 0 0 0 30 45 1 0 0 0 0 M END $$$$