LGR95S -OEChem-05022321562D 42 45 0 0 0 0 0 0 0999 V2000 8.3380 -1.6702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5006 0.6568 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 1.2537 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8380 1.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8380 1.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2145 0.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4615 0.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4370 -0.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2390 -0.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3380 -0.6702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2240 1.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4550 0.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6845 -0.9565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4520 1.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6868 -0.6572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9915 -0.9565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2210 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9892 -0.6572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7649 -0.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8105 0.2779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9837 -0.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0748 -0.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2480 -1.6736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2936 -1.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9760 2.1249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2794 1.7894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3966 1.7894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7001 2.1249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0931 1.6670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8294 -1.5593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5830 1.6669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2339 -1.0806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8466 -1.5594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3650 1.2618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8128 0.5433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4421 -1.0807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5754 -1.1813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4831 -0.2144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3836 -2.2786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -1.7952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0479 1.6736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 12 1 0 0 0 0 2 19 1 0 0 0 0 2 34 1 0 0 0 0 3 20 1 0 0 0 0 3 41 1 0 0 0 0 3 42 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 7 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 8 2 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 14 2 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 16 2 0 0 0 0 11 12 2 0 0 0 0 11 29 1 0 0 0 0 12 15 1 0 0 0 0 13 15 2 0 0 0 0 13 30 1 0 0 0 0 14 17 1 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 16 18 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 20 22 2 0 0 0 0 21 23 1 0 0 0 0 21 37 1 0 0 0 0 22 24 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 M END $$$$