B2RWB1 -OEChem-04012119212D 41 43 0 1 0 0 0 0 0999 V2000 4.4026 1.1580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7485 0.0662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7523 2.2418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7066 3.1272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -3.1393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -1.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.6025 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.2120 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4072 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9072 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4072 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.3480 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9405 0.6554 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9422 1.6554 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9917 1.9660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6844 2.9176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -1.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -2.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -2.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 -0.0911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4934 0.9359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8463 2.2679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3795 2.0641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2985 3.0029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7071 3.5372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3154 0.3174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6886 2.8585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8445 -1.1952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 -0.7967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1793 -2.4853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8695 -2.8838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5160 3.7172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.7172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.7172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8819 -3.1393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 15 1 0 0 0 0 13 2 1 1 0 0 0 2 31 1 0 0 0 0 14 3 1 1 0 0 0 3 32 1 0 0 0 0 4 16 1 0 0 0 0 4 37 1 0 0 0 0 5 24 1 0 0 0 0 5 41 1 0 0 0 0 6 24 2 0 0 0 0 12 7 1 6 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 17 2 0 0 0 0 8 20 1 0 0 0 0 9 18 2 0 0 0 0 9 23 1 0 0 0 0 10 22 1 0 0 0 0 10 23 2 0 0 0 0 11 22 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 15 16 1 6 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 22 2 0 0 0 0 21 24 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 23 38 1 0 0 0 0 M END $$$$