LGR98O -OEChem-05022322323D 40 43 0 0 0 0 0 0 0999 V2000 3.2174 -2.1377 -0.0397 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3716 -2.1434 -1.1792 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3999 0.0126 -0.6384 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1184 1.6895 0.1920 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7929 0.7187 0.7848 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9452 -0.4958 -0.3484 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6439 -0.8348 -0.7083 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1386 0.8177 0.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9346 -2.5659 -1.5668 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0953 1.2397 -0.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0195 -1.3988 -0.4302 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4276 1.1941 0.4793 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5011 0.3019 0.4008 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1834 2.1777 -0.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2971 -0.9960 -0.0544 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7443 -2.9500 -0.3594 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1598 3.1766 0.8815 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2608 2.0876 -0.9727 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4689 -3.9129 0.5866 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2140 4.0856 0.9737 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3149 2.9964 -0.8806 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4806 -3.9844 1.5872 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4906 -3.0738 1.3679 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2915 3.9955 0.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9956 -2.8784 -0.8667 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4353 -1.8132 -2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8387 -3.4557 -2.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9083 -2.4164 -0.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6005 2.2082 0.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1226 -1.6994 -0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3397 3.2676 1.5897 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3046 1.3263 -1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5861 -4.5393 0.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4683 -4.6691 2.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1972 4.8622 1.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1532 2.9277 -1.5678 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5705 0.0748 0.7273 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9431 1.6628 1.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3759 -2.9134 1.9669 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1123 4.7031 0.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 23 1 0 0 0 0 2 7 1 0 0 0 0 2 9 1 0 0 0 0 2 25 1 0 0 0 0 3 7 2 0 0 0 0 3 10 1 0 0 0 0 4 8 1 0 0 0 0 4 10 2 0 0 0 0 5 13 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 6 11 1 0 0 0 0 8 12 1 0 0 0 0 9 16 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 14 1 0 0 0 0 11 15 2 0 0 0 0 11 28 1 0 0 0 0 12 13 2 0 0 0 0 12 29 1 0 0 0 0 13 15 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 30 1 0 0 0 0 16 19 2 0 0 0 0 17 20 1 0 0 0 0 17 31 1 0 0 0 0 18 21 2 0 0 0 0 18 32 1 0 0 0 0 19 22 1 0 0 0 0 19 33 1 0 0 0 0 20 24 2 0 0 0 0 20 35 1 0 0 0 0 21 24 1 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 22 34 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 M END $$$$