LGR95S -OEChem-05022321593D 42 45 0 0 0 0 0 0 0999 V2000 -3.2352 2.4085 0.5361 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 1.1127 -0.3378 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5340 1.5653 0.5417 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2511 -0.7601 1.6743 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0852 -1.7278 0.8454 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5712 0.2403 0.7873 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3702 -1.1926 0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3093 1.2063 0.1002 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6778 0.1569 0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7689 1.3079 0.2529 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8225 0.2193 0.6319 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4621 1.1525 -0.1858 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6689 2.1535 -0.7088 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3359 -2.1662 -0.0818 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7166 2.1203 -0.8542 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9378 0.4975 -0.5201 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5761 -1.8181 -0.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8793 -0.4824 -0.8293 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7988 0.0606 -0.2907 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1100 0.2788 0.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4038 -1.2214 -0.6814 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0199 -0.7778 0.1795 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3136 -2.2779 -0.6418 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6217 -2.0562 -0.2114 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4976 -1.3321 2.2303 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8580 -0.2452 2.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3433 -2.5642 1.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4824 -2.1456 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3995 -0.5227 1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2384 2.9154 -1.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1226 -3.2216 0.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2028 2.8542 -1.4918 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1998 1.5346 -0.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2722 2.0121 -0.5744 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3000 -2.5895 -0.8591 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8423 -0.2005 -1.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3994 -1.4221 -1.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0424 -0.6190 0.5127 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0053 -3.2723 -0.9513 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3305 -2.8786 -0.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8783 2.3335 0.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4841 1.7050 0.8596 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 $$$$