B97ZUE
-OEChem-04012115082D
47 51 0 0 0 0 0 0 0999 V2000
2.0000 1.4216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9192 -3.0779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.4216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.0784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.5655 1.3831 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.8702 2.3293 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2764 0.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2764 -1.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8600 -0.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5870 1.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5870 -2.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9192 1.9212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8762 2.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3702 0.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2298 2.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2083 3.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5655 -2.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1750 1.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 -0.5533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2646 -0.5533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3426 1.3140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 2.0042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.0416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3894 0.5293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 -0.1610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2646 2.3966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 2.3966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4800 -0.5784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 -1.3884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.1984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3125 1.7933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3702 0.1795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8158 3.3332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4009 3.6672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4377 -3.1465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1722 -2.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6934 -1.9332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7643 1.1905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 1 0 0 0 0
1 15 1 0 0 0 0
2 20 2 0 0 0 0
3 8 1 0 0 0 0
3 9 1 0 0 0 0
3 10 1 0 0 0 0
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26 45 1 0 0 0 0
26 46 1 0 0 0 0
27 47 1 0 0 0 0
M END
$$$$