B3UPV7 -OEChem-04022109103D 27 28 0 0 0 0 0 0 0999 V2000 4.5575 -0.6448 -0.0004 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9081 -2.3002 -0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1967 0.5371 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5828 0.1217 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8186 -0.4193 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1547 -0.0184 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 1.8947 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4752 1.3393 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2518 -0.0757 1.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2503 -0.0806 -1.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4599 2.2958 -0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5881 -0.4758 1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5866 -0.4806 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2139 -1.0149 0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2554 -0.6783 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5510 -1.4739 0.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6550 2.6535 -0.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4958 1.7056 -0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7465 0.0777 2.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7439 0.0690 -2.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7089 3.3530 -0.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1090 -0.6297 2.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1065 -0.6383 -2.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2959 -0.9897 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2823 -1.3551 -0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8790 0.3150 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7813 -2.8390 -0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 14 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 7 1 0 0 0 0 4 9 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 6 8 2 0 0 0 0 6 14 1 0 0 0 0 7 11 2 0 0 0 0 7 17 1 0 0 0 0 8 11 1 0 0 0 0 8 18 1 0 0 0 0 9 12 1 0 0 0 0 9 19 1 0 0 0 0 10 13 2 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 12 15 2 0 0 0 0 12 22 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 15 24 1 0 0 0 0 M END $$$$