BPU8Q2 -OEChem-04022102242D 53 57 0 0 0 0 0 0 0999 V2000 5.1200 2.0719 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6215 -7.4544 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3987 3.8320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -2.9912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0168 3.8320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7078 2.8809 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0738 5.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2078 5.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0738 6.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9389 0.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9677 5.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3417 5.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2078 7.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 -1.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2078 4.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9677 7.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5267 1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3417 6.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9444 0.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3457 -0.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3566 -0.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7579 -1.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1756 -2.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8738 5.8990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8738 6.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7078 2.8809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -4.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 -3.8003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8135 -5.5228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -4.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2202 -6.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8025 -5.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2147 -6.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9606 4.7652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8048 5.6098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2078 8.0398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9606 8.0744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9574 0.7124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0407 1.5051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8048 7.2298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6922 1.0203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9623 -0.6290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7400 -0.2903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0100 -1.9396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7449 -1.6317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6616 -2.4244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4095 5.5869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4095 7.2527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1969 -5.4580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7602 -4.3167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8558 -6.9380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4191 -5.7967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 27 1 0 0 0 0 2 34 1 0 0 0 0 3 16 1 0 0 0 0 3 27 1 0 0 0 0 4 24 1 0 0 0 0 4 29 1 0 0 0 0 5 29 2 0 0 0 0 6 7 1 0 0 0 0 6 16 2 0 0 0 0 7 27 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 9 13 2 0 0 0 0 9 16 1 0 0 0 0 10 14 1 0 0 0 0 10 17 2 0 0 0 0 11 18 1 0 0 0 0 11 20 2 0 0 0 0 11 21 1 0 0 0 0 12 25 1 0 0 0 0 12 35 1 0 0 0 0 13 19 1 0 0 0 0 13 36 1 0 0 0 0 14 19 2 0 0 0 0 14 37 1 0 0 0 0 15 22 2 0 0 0 0 15 23 1 0 0 0 0 15 24 1 0 0 0 0 17 26 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 20 22 1 0 0 0 0 20 42 1 0 0 0 0 21 23 2 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 30 32 1 0 0 0 0 30 50 1 0 0 0 0 31 33 2 0 0 0 0 31 51 1 0 0 0 0 32 34 2 0 0 0 0 32 52 1 0 0 0 0 33 34 1 0 0 0 0 33 53 1 0 0 0 0 M END $$$$