B12JWN -OEChem-04022101592D 49 52 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 6.7523 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 7.7690 1.4657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0663 -2.6957 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 6.7485 0.0662 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 5.9405 0.6554 0.0000 C 0 0 2 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 4.9889 0.3480 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 3.7320 -0.9072 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 7.6628 0.4714 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 8.4708 -0.1178 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 8.3645 -1.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3850 0.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1725 -1.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1930 -0.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0868 -1.2962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8743 -3.2849 0.0000 C 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 5.4266 -0.0911 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 6.6826 -0.5503 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 6.6886 2.8585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.4072 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 7.7977 -1.3634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4509 0.9038 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 10.7598 -0.0507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5877 -1.6615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5090 -3.7858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3752 -3.6502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2396 -2.7839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 13 2 1 1 0 0 0 2 37 1 0 0 0 0 3 16 1 0 0 0 0 3 39 1 0 0 0 0 4 19 2 0 0 0 0 5 26 1 0 0 0 0 5 29 1 0 0 0 0 14 6 1 6 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 12 7 1 1 0 0 0 7 19 1 0 0 0 0 7 34 1 0 0 0 0 8 18 2 0 0 0 0 8 20 1 0 0 0 0 9 17 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 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 30 1 0 0 0 0 13 15 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 6 0 0 0 15 33 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 20 1 0 0 0 0 18 38 1 0 0 0 0 19 21 1 0 0 0 0 20 22 2 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 23 40 1 0 0 0 0 24 26 1 0 0 0 0 24 41 1 0 0 0 0 25 27 2 0 0 0 0 25 42 1 0 0 0 0 26 28 2 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 M END $$$$