BCEB86 -OEChem-04022101192D 47 51 0 0 0 0 0 0 0999 V2000 8.9481 2.6450 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.3374 0.7406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0547 -0.4234 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 0.7009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0274 -0.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3364 0.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7123 -1.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3518 0.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7328 -1.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 -0.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7183 0.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0321 -0.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 -1.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 0.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7040 -0.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 -1.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6814 -0.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3987 -1.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9867 0.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3534 -1.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0707 -2.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0480 -2.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3148 0.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9641 0.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6201 1.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2694 1.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5974 2.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1824 -1.9445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9387 -2.1999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8742 0.6793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1122 0.9171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7513 -2.0337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3466 -1.5019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 1.3209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 -2.2101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5182 0.9372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9088 -1.8764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 -0.2921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7928 -2.0357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9593 -1.3499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8814 -3.2354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4647 -2.8925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7088 0.8210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3807 -0.0358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8754 1.5068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7867 2.7066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 12 2 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 14 2 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 13 36 1 0 0 0 0 14 17 1 0 0 0 0 14 37 1 0 0 0 0 15 18 1 0 0 0 0 15 19 2 0 0 0 0 16 17 2 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 19 22 1 0 0 0 0 19 40 1 0 0 0 0 20 24 2 0 0 0 0 20 25 1 0 0 0 0 21 23 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 24 26 1 0 0 0 0 24 44 1 0 0 0 0 25 27 2 0 0 0 0 25 45 1 0 0 0 0 26 28 2 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 M END $$$$