B2AQ3T -OEChem-04022112263D 56 58 0 1 0 0 0 0 0999 V2000 -2.5471 -3.0968 0.6219 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 1.4030 -1.1407 N 0 0 1 0 0 0 0 0 0 0 0 0 3.2525 -0.2370 -0.4055 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8852 -1.1683 0.0065 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5830 -0.8124 -0.0294 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8968 0.2918 -0.8570 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2897 0.8433 -0.5324 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4406 -0.6245 0.2838 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8809 1.8941 -0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7889 1.0537 0.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5907 0.2755 -0.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9034 -0.3845 0.1435 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2084 2.2153 -2.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8886 3.2567 0.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6278 1.5449 1.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2782 -1.7650 1.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9255 -0.2603 0.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2563 -0.9538 -0.1185 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7308 3.7510 1.1977 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5944 2.8944 1.8704 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2743 -2.9121 1.0574 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2778 0.7334 -0.9247 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5116 -2.3008 0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2679 -0.1356 -0.6214 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7785 -2.8298 -0.1081 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5349 -0.6646 -0.8677 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7903 -2.0116 -0.6111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9566 -0.3160 -1.7709 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2471 1.4285 0.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6146 1.5263 -1.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1177 -1.4819 0.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4725 -0.1260 1.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2982 -0.7623 -1.2781 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5680 0.8251 0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8380 0.9811 -0.8849 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6365 1.6067 -3.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9061 3.0331 -2.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7276 2.6373 -2.7114 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2150 3.9584 -0.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3086 0.8881 2.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2596 -1.2784 2.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2873 -2.2057 0.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0314 0.2203 1.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6809 -1.0498 0.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7040 4.8063 1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2433 3.2778 2.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4261 -3.3319 0.0571 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2436 -2.6214 1.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8925 -3.7185 1.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0300 0.3516 -1.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7972 1.7060 -0.7804 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3578 0.9214 -0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0973 0.9104 -0.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9770 -3.8786 0.0915 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3210 -0.0294 -1.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7764 -2.4239 -0.8043 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 2 13 1 0 0 0 0 3 7 1 0 0 0 0 3 11 1 0 0 0 0 3 33 1 0 0 0 0 4 8 1 0 0 0 0 4 12 2 0 0 0 0 5 11 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 28 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 12 1 0 0 0 0 10 15 2 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 18 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 19 1 0 0 0 0 14 39 1 0 0 0 0 15 20 1 0 0 0 0 15 40 1 0 0 0 0 16 21 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 22 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 23 1 0 0 0 0 18 24 2 0 0 0 0 19 20 2 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 25 2 0 0 0 0 24 26 1 0 0 0 0 24 53 1 0 0 0 0 25 27 1 0 0 0 0 25 54 1 0 0 0 0 26 27 2 0 0 0 0 26 55 1 0 0 0 0 27 56 1 0 0 0 0 M END $$$$