L3BCV8 -OEChem-05022322182D 44 47 0 1 0 0 0 0 0999 V2000 6.2594 -0.0882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 -1.0882 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0547 -2.2124 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3934 1.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2594 1.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 1.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3934 0.4118 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2594 2.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 2.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3934 3.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 -0.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7183 -1.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3364 -1.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 -2.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0274 -2.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3518 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 -3.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7123 -3.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 -3.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7328 -3.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9303 1.1018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4715 1.3292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8700 2.0194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9168 2.0194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3153 1.3292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3934 -0.2082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8700 2.8041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4715 3.4944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3153 3.4944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9168 2.8041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7919 3.8867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9949 3.8867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3153 0.4944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9168 -0.1959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7964 0.2218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5182 -0.8519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5365 -0.8519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 -3.9992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5139 -3.9992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 -2.0812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9088 -3.6654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1459 -3.6654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7 1 1 1 0 0 0 1 37 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 17 2 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 23 1 0 0 0 0 5 8 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 9 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 11 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 14 1 0 0 0 0 12 16 2 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 18 2 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 18 21 1 0 0 0 0 18 40 1 0 0 0 0 19 22 2 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 M END $$$$