BKZ65M
-OEChem-04022108592D
40 43 0 1 0 0 0 0 0999 V2000
10.2706 0.4244 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.6382 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.7071 3.6382 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
9.9661 2.9940 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.0629 2.3793 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.6382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.1382 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.1382 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.0084 -2.4430 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.5920 -1.6382 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.7327 0.9271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.2724 1.4244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -2.6382 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3301 -1.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -2.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -3.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0084 -0.8335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3191 0.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3219 1.7350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0145 2.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6592 -2.9482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1181 -0.5556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7196 -1.2459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5947 -0.1633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7976 -0.1633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5762 -3.6382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -4.2582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8162 -3.6382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.2582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.8282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -2.4482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.0182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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15 32 1 0 0 0 0
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17 34 1 0 0 0 0
17 35 1 0 0 0 0
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23 26 2 0 0 0 0
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26 27 1 0 0 0 0
26 40 1 0 0 0 0
M END
$$$$