B1TMJ6
-OEChem-04022108122D
69 72 0 1 0 0 0 0 0999 V2000
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4.2541 -1.8619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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5.0000 1.0073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 2.7394 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4339 1.9083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.0000 1.0073 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.4339 0.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1906 1.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1906 0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8104 2.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6313 -1.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6313 3.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0846 2.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8983 3.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0846 -0.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5000 1.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.5000 1.8734 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.9906 1.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9906 0.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1208 -2.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9427 -1.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 1.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3877 -3.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3433 5.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1208 -3.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2097 -2.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6038 -4.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3604 -4.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5968 -4.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6387 2.4935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6701 0.4824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2951 3.0767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4238 3.1749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3257 2.3036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6900 0.4704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9677 -1.6119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2026 -0.8502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0774 2.6620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3270 4.0268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5619 3.2651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0774 -0.6473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8100 2.4103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5264 1.8402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5264 0.1745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8048 -0.8720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4631 1.3173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6900 0.4704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5369 0.6973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3100 3.2763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9478 5.5978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4813 6.3402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7389 5.8738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5704 -2.6109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1445 -4.8617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.3594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3800 2.7394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.1194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9535 -4.2320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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M END
$$$$