BP6KY4 -OEChem-04022109472D 44 47 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 8.5127 -1.6279 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 8.2020 -2.5784 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 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 9.0596 -1.9199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8952 -1.1400 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 7.6551 -2.2864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8194 -3.0663 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 8.4084 -3.7368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2839 -3.7842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3313 -2.9087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 23 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 33 1 0 0 0 0 7 34 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 24 1 0 0 0 0 12 22 1 0 0 0 0 12 24 2 0 0 0 0 13 22 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 27 1 6 0 0 0 15 18 1 0 0 0 0 15 28 1 1 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 23 25 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 25 26 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 M END $$$$