BJ28MD -OEChem-04042105493D 32 33 0 0 0 0 0 0 0999 V2000 -5.6350 0.1074 -0.0459 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8502 1.5078 0.0398 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1097 0.0487 -0.0015 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7463 -0.1821 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7171 1.2873 -0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0915 -0.9205 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0818 1.1016 -0.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3188 -0.2952 -0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0576 -0.3026 -1.2063 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0599 -0.2948 1.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0041 -0.6490 0.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 2.5474 -0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7751 -2.3653 0.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3177 -0.5361 -1.2042 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3153 -0.5283 1.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4745 -0.8981 0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3026 0.3719 0.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8279 1.8843 -0.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2812 -0.7881 -0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5789 -0.2165 -2.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5831 -0.2026 2.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6094 3.4156 -0.0137 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3076 2.6173 -0.8999 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3088 2.6234 0.8798 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2000 -2.6467 -0.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 -2.9649 0.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2022 -2.6399 0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8429 -0.6259 -2.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8389 -0.6121 2.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7528 -1.4840 0.8909 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7514 -1.4897 -0.8746 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1706 0.9292 -0.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 32 1 0 0 0 0 2 17 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 9 2 0 0 0 0 4 10 1 0 0 0 0 5 7 2 0 0 0 0 5 12 1 0 0 0 0 6 8 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 9 14 1 0 0 0 0 9 20 1 0 0 0 0 10 15 2 0 0 0 0 10 21 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 M END $$$$