L76EST -OEChem-05022323092D 43 46 0 1 0 0 0 0 0999 V2000 4.0948 0.1699 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.9313 -0.7905 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.3275 0.6995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0778 -2.2095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7099 1.2913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 -0.4882 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0653 -1.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1993 -0.8246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9313 -0.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6634 -0.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7974 -1.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6634 0.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9313 0.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2857 -1.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7974 0.6754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5573 0.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5573 -1.3593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4634 0.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4634 -0.8454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1166 0.3778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1954 0.2029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0595 0.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9275 0.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0557 1.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7916 0.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9198 2.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7877 1.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6668 -1.7996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4638 -1.7996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7193 -0.4870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7974 -1.9446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3944 0.4854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7974 1.2954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5502 1.3300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5502 -1.9792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9991 -1.1575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 -0.2736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5958 -0.2706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5175 2.0141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3297 0.4049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9174 2.8295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3234 2.0249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 20 1 0 0 0 0 2 23 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 14 2 0 0 0 0 5 20 2 0 0 0 0 6 14 1 0 0 0 0 6 20 1 0 0 0 0 6 36 1 0 0 0 0 8 7 1 1 0 0 0 7 9 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 14 1 0 0 0 0 8 30 1 0 0 0 0 9 11 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 10 17 1 0 0 0 0 11 31 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 13 15 2 0 0 0 0 13 32 1 0 0 0 0 15 33 1 0 0 0 0 16 18 2 0 0 0 0 16 34 1 0 0 0 0 17 19 2 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 19 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 23 25 2 0 0 0 0 24 26 1 0 0 0 0 24 40 1 0 0 0 0 25 27 1 0 0 0 0 25 41 1 0 0 0 0 26 27 2 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 M END $$$$