LLOR93 -OEChem-05032301553D 25 25 0 1 0 0 0 0 0999 V2000 -2.6595 -0.0251 -0.2107 P 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 -1.0126 1.2319 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0704 0.1770 -0.4122 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1972 1.3102 -0.3227 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5427 2.4208 -0.0003 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0849 -1.5839 -0.8846 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7823 -1.5024 0.4356 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1832 -0.2374 -1.7258 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3498 1.0681 0.5513 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0051 0.5246 -0.3784 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9678 1.1740 0.5387 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3118 -0.8974 0.0938 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2502 0.2720 0.7514 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0308 -1.6878 0.3321 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 0.5393 -1.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4351 1.3793 1.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9055 -0.8580 1.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8581 0.7262 1.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5063 -1.8996 -0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2741 -2.6641 0.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8605 0.8691 -0.8807 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3374 2.9631 -0.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5741 -1.6047 -1.7119 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6663 -1.8297 0.7069 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1486 -0.2921 -1.8909 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 13 1 0 0 0 0 4 10 1 0 0 0 0 4 21 1 0 0 0 0 5 11 1 0 0 0 0 5 22 1 0 0 0 0 6 12 1 0 0 0 0 6 23 1 0 0 0 0 7 24 1 0 0 0 0 8 25 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 M END $$$$