B8B3QM -OEChem-04042103133D 49 51 0 0 0 0 0 0 0999 V2000 0.1353 3.9043 -0.0541 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.6569 -2.0040 -0.9894 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4921 3.4046 -0.2037 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7832 3.8948 -1.1807 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1745 -0.5788 -1.5006 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2919 -0.7583 -0.1212 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9602 -1.0132 0.1871 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3624 0.8756 0.8877 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5238 -2.1835 0.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0478 -0.2072 -1.2512 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0220 -2.4601 0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5181 -0.5899 -1.1232 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0479 -0.2154 0.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0106 1.1189 0.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7658 1.6153 0.8961 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6251 3.0480 1.2872 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1951 -0.4117 0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3774 -1.2328 0.5072 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6180 -0.6625 0.2215 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2435 5.5792 0.5343 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7633 -1.4584 0.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2822 -2.5992 0.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6681 -2.8249 0.4638 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4274 -3.3953 0.7491 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0899 -0.8494 -0.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4244 0.0039 -1.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0740 -2.4820 1.1055 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0644 -2.7774 -0.6486 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6359 -0.6215 -2.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9702 0.8837 -1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4868 -1.9758 1.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2001 -3.5366 0.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0632 -0.2822 -2.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9865 -0.0944 -0.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8974 1.7408 0.5972 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0182 3.1442 2.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5892 3.5205 1.4974 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7121 0.3991 0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7100 6.1844 -0.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7638 5.9454 0.7407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8555 5.5957 1.4379 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3317 -3.0723 1.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5514 -3.4578 0.4488 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3537 -4.4589 0.9561 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2098 0.0803 0.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9040 -1.5234 0.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4327 0.1922 -2.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2451 -0.6786 -1.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5596 0.9561 -1.3211 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 16 1 0 0 0 0 1 20 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 13 1 0 0 0 0 7 13 2 0 0 0 0 7 17 1 0 0 0 0 8 15 1 0 0 0 0 8 17 2 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 22 2 0 0 0 0 19 21 2 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 23 1 0 0 0 0 21 25 1 0 0 0 0 22 24 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 M END $$$$