B7M3SH -OEChem-04022102032D 43 45 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 4.6783 -0.6025 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -1.4072 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 3 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 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 7.7619 -2.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -3.1393 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 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 6.5719 -0.8703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0719 -1.7363 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 7.7619 -2.8933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3819 -2.2733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -1.6533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7249 -2.8293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9519 -3.6762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7988 -3.4493 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 1 11 1 0 0 0 0 1 14 1 0 0 0 0 12 2 1 1 0 0 0 2 30 1 0 0 0 0 13 3 1 1 0 0 0 3 31 1 0 0 0 0 4 15 1 0 0 0 0 4 34 1 0 0 0 0 5 11 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 16 1 0 0 0 0 6 19 1 0 0 0 0 6 32 1 0 0 0 0 7 16 2 0 0 0 0 7 18 1 0 0 0 0 8 17 2 0 0 0 0 8 23 1 0 0 0 0 9 20 1 0 0 0 0 9 23 2 0 0 0 0 10 20 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 24 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 6 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 17 18 1 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 19 33 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 M END $$$$