BD1J2B
-OEChem-04022109142D
73 77 0 1 0 0 0 0 0999 V2000
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6.8844 3.3161 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.8069 4.3880 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.6428 -1.9541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5438 -4.3880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6422 -0.7567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3065 -1.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1301 1.8303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2266 -2.5776 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0438 -0.1973 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.8702 -2.4704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5438 -2.3880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4447 -1.9541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.6778 -2.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4098 -2.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6778 -3.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4098 -3.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6673 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4203 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0438 -0.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4777 0.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1574 -2.2123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3880 -0.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6782 0.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4029 1.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9393 -2.8357 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.0000 0.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6494 0.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5020 2.1347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2292 2.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7902 -3.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4272 3.1319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1544 3.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6505 1.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2535 3.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6520 -3.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4958 3.5983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7086 1.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6307 3.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9564 2.3936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8816 3.3908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0300 -1.7493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4657 -2.3054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0672 -2.9956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0204 -2.9956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6218 -2.3054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0672 -3.7803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4657 -4.4706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6218 -4.4706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0204 -3.7803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1342 -3.1907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9106 0.2598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8685 0.8189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0071 -1.3290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0704 1.2583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0317 -2.2227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3866 0.2169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4252 1.5192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1772 -3.7322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6978 -4.4376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4033 -3.9170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9626 -1.8573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6667 3.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7040 0.9171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2071 4.3135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2654 -3.5786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1367 -3.4805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0385 -2.6092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4566 4.2170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1977 1.6283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0731 3.2893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2114 1.8284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5572 2.5466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 41 1 0 0 0 0
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13 9 1 1 0 0 0
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40 72 1 0 0 0 0
40 73 1 0 0 0 0
M END
$$$$