L3A0MR -OEChem-05022323343D 54 57 0 0 0 0 0 0 0999 V2000 -1.8670 -3.3221 -0.5540 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7998 0.8994 -1.5165 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9847 -2.1091 1.7470 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1307 0.2002 -0.3181 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6185 -0.2166 1.5127 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9905 1.1583 -1.4989 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5476 2.4986 -0.5359 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7661 0.6028 -0.3573 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1201 1.6657 0.2532 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8905 -1.9057 0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0647 -1.1327 -0.2682 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1464 -1.4053 0.9363 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1993 -1.6172 -0.6433 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4297 -3.1536 1.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6410 -2.8587 -0.1866 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5566 0.1021 -0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5290 -0.1645 0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1717 -3.6253 0.6455 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8225 0.4089 0.7913 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9325 -2.4396 -0.4959 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8424 -2.3742 -1.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0973 -1.6179 0.6191 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0819 -0.6653 -0.3762 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9171 -1.4870 -1.4911 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1720 -0.7307 0.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3700 2.3550 0.4799 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3734 2.1410 -1.9065 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8759 1.4927 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7709 2.1858 -0.3852 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7247 2.1015 1.0334 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4175 2.0258 -0.5522 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5148 3.4877 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4685 3.4034 1.4636 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3635 4.0965 0.9693 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8232 -1.0294 -1.3133 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0128 -3.7871 1.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1706 -4.5916 1.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7187 -3.0119 -2.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4189 -1.6678 1.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4347 2.1154 -0.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8057 -3.0596 1.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6225 -1.4401 -2.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2912 -0.1225 1.5718 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7559 2.0852 1.4672 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1606 3.4274 0.4356 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2919 1.9878 -2.4831 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5587 2.7806 -1.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6545 2.6542 -2.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1058 1.7439 -1.1224 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5867 1.5661 1.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6572 4.0293 -0.3434 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1295 3.8775 2.1833 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1647 5.1106 1.3035 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6897 0.9603 -2.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 20 1 0 0 0 0 2 16 1 0 0 0 0 2 27 1 0 0 0 0 3 12 1 0 0 0 0 3 41 1 0 0 0 0 4 23 1 0 0 0 0 4 28 1 0 0 0 0 5 19 2 0 0 0 0 6 31 1 0 0 0 0 6 54 1 0 0 0 0 7 31 2 0 0 0 0 8 16 2 0 0 0 0 8 17 1 0 0 0 0 9 19 1 0 0 0 0 9 26 1 0 0 0 0 9 40 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 12 17 2 0 0 0 0 13 15 2 0 0 0 0 13 35 1 0 0 0 0 14 18 2 0 0 0 0 14 36 1 0 0 0 0 15 18 1 0 0 0 0 17 19 1 0 0 0 0 18 37 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 24 1 0 0 0 0 21 38 1 0 0 0 0 22 25 2 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 26 31 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 32 1 0 0 0 0 29 49 1 0 0 0 0 30 33 2 0 0 0 0 30 50 1 0 0 0 0 32 34 2 0 0 0 0 32 51 1 0 0 0 0 33 34 1 0 0 0 0 33 52 1 0 0 0 0 34 53 1 0 0 0 0 M END $$$$