BO98RQ -OEChem-04012112212D 46 49 0 1 0 0 0 0 0999 V2000 3.7320 5.4539 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4539 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -2.0849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 6.3199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 6.3199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4921 -0.8249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5461 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0510 -3.8075 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5510 -4.6735 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2201 -5.4167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 -2.0849 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9230 -1.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6443 -2.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 -1.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0291 -4.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1337 -5.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9997 -5.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8657 -6.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5135 -2.6374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6130 -0.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3566 -1.3861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 5.5365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 4.8462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 4.0616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 3.3713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 4.8462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 5.5365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2136 -2.4480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1303 -3.2406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.6439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.2639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.6439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.6439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4899 -3.6006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4027 -6.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 13 1 0 0 0 0 1 16 1 0 0 0 0 2 22 1 0 0 0 0 3 11 1 0 0 0 0 3 21 1 0 0 0 0 6 21 2 0 0 0 0 7 12 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 8 26 1 0 0 0 0 9 10 2 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 1 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 18 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 24 2 0 0 0 0 20 25 1 0 0 0 0 22 24 1 0 0 0 0 23 25 2 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 28 29 3 0 0 0 0 29 46 1 0 0 0 0 M END $$$$