LB48RQ -OEChem-05022323132D 45 48 0 0 0 0 0 0 0999 V2000 4.4487 0.1488 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.8446 -1.8512 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.8446 -2.8512 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.8446 -0.8512 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4487 0.1488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4487 0.1488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.1488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2610 -1.0465 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2610 -2.6559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -2.8512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 1.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 2.6433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 1.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8446 -1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8446 -1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3446 -0.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3446 -2.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8446 -1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3446 -0.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3446 -2.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8446 -1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1026 1.9865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0982 2.6433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5430 3.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1675 0.8776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 0.7051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6916 3.4409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 3.1034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 2.3496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 1.5244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 1.4588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0457 -1.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4536 -0.4572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0457 -2.6612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0346 -0.4483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0346 -3.2542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6546 -0.4483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6546 -3.2542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 1 16 1 0 0 0 0 2 28 1 0 0 0 0 3 28 1 0 0 0 0 4 28 1 0 0 0 0 7 11 1 0 0 0 0 7 38 1 0 0 0 0 8 17 1 0 0 0 0 8 20 1 0 0 0 0 8 40 1 0 0 0 0 9 19 1 0 0 0 0 9 20 2 0 0 0 0 10 19 2 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 29 1 0 0 0 0 12 14 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 15 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 21 2 0 0 0 0 18 39 1 0 0 0 0 20 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 26 1 0 0 0 0 23 42 1 0 0 0 0 24 27 2 0 0 0 0 24 43 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 M END $$$$