B3MEX5 -OEChem-04042107373D 28 30 0 0 0 0 0 0 0999 V2000 3.1171 -0.6802 -0.8421 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4709 -0.3676 1.8637 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5354 1.9454 -0.7076 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2205 -3.3969 -0.2029 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6952 -0.3578 -0.5169 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0103 3.0456 0.5805 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8567 -0.7414 0.4107 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7048 -1.5413 -0.3607 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3436 -1.3080 0.8805 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4019 0.5747 0.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6153 0.7381 -0.0403 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3754 -2.8649 -0.6596 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5973 -2.6269 0.5407 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4480 1.8957 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5261 0.3590 0.6138 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1086 1.5898 0.8548 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9240 2.1241 -0.1367 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1254 1.4191 -1.3182 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4941 0.1937 -1.4578 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9096 1.3570 1.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0082 -3.5124 -1.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5031 -3.1296 0.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9486 2.1367 1.7781 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4013 3.0882 0.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7566 1.8163 -2.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6186 -0.3957 -2.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1402 3.0941 1.0991 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5707 3.8916 0.5642 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 11 1 0 0 0 0 2 9 1 0 0 0 0 2 15 1 0 0 0 0 3 14 2 0 0 0 0 4 12 1 0 0 0 0 4 13 2 0 0 0 0 5 15 1 0 0 0 0 5 19 2 0 0 0 0 6 14 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 12 2 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 20 1 0 0 0 0 11 14 1 0 0 0 0 12 21 1 0 0 0 0 13 22 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 17 18 2 0 0 0 0 17 24 1 0 0 0 0 18 19 1 0 0 0 0 18 25 1 0 0 0 0 19 26 1 0 0 0 0 M END $$$$