BC5UD4 -OEChem-04022109472D 45 49 0 1 0 0 0 0 0999 V2000 7.8448 -0.8836 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 1.3716 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.9883 0.0669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 1.8716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 0.3716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2989 2.6269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.3716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 2.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5719 0.8716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1017 0.3716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9493 2.6549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6441 3.0121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8008 1.7229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0420 1.3716 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0420 0.3716 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9883 1.6764 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5719 0.8716 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1760 -0.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1555 1.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1555 0.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1060 1.3657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8503 2.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6936 3.3227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5127 -1.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2020 -2.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4912 -1.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8698 -3.3227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1590 -2.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8484 -3.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1320 2.2169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1320 -0.4736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6008 1.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8536 0.3193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7775 -0.6033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5746 -0.6033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8849 3.0884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5657 3.9294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2623 2.1370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9287 1.1162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5953 -2.7063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6838 -0.8324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6772 -3.9120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7657 -2.0381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2624 -3.5780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 24 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 2 8 2 0 0 0 0 3 15 1 0 0 0 0 3 17 1 0 0 0 0 4 14 1 0 0 0 0 5 18 1 0 0 0 0 16 6 1 1 0 0 0 6 36 1 0 0 0 0 7 37 1 0 0 0 0 17 9 1 6 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 20 2 0 0 0 0 10 21 1 0 0 0 0 11 19 2 0 0 0 0 11 23 1 0 0 0 0 12 22 1 0 0 0 0 12 23 2 0 0 0 0 13 22 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 30 1 6 0 0 0 15 18 1 0 0 0 0 15 31 1 1 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 23 38 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 41 1 0 0 0 0 26 28 2 0 0 0 0 26 42 1 0 0 0 0 27 29 2 0 0 0 0 27 43 1 0 0 0 0 28 29 1 0 0 0 0 28 44 1 0 0 0 0 29 45 1 0 0 0 0 M END $$$$