BB4VR1 -OEChem-04012118532D 44 46 0 1 0 0 0 0 0999 V2000 2.6723 2.2014 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5202 0.1323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -4.1465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -0.1465 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4912 3.9239 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0736 3.2194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 1.3924 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2601 1.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 0.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 0.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -1.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -1.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -1.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 3.1149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -2.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -2.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -3.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8980 4.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4803 4.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8925 4.9420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -4.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3102 5.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4748 4.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -5.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6477 1.2954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8665 1.5213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1953 2.0090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 -1.3365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3571 -1.3365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 -2.9565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3571 -2.9565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1447 5.5084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2367 -4.7542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8382 -4.0639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8118 6.0109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9458 6.1481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8086 5.2821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5396 3.6209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0914 4.3023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4100 4.8541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0061 -5.6465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -6.2665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2461 -5.6465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 15 1 0 0 0 0 2 10 2 0 0 0 0 3 11 2 0 0 0 0 4 18 1 0 0 0 0 4 22 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 15 1 0 0 0 0 6 19 2 0 0 0 0 7 15 2 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 16 1 0 0 0 0 13 29 1 0 0 0 0 14 17 2 0 0 0 0 14 30 1 0 0 0 0 16 18 2 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 33 1 0 0 0 0 22 25 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 M END $$$$