B1CO5T
-OEChem-04022108122D
77 80 0 1 0 0 0 0 0999 V2000
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6.3104 -1.2158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0869 2.8602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5000 2.1990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6459 4.4430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5957 3.9980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9088 1.5905 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9088 -0.6565 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5000 0.4670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 2.1990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.2188 1.9945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9339 1.3680 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.5000 0.4670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.9339 -0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6906 0.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6906 -0.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3104 2.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1313 -1.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1313 2.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6739 -2.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5846 1.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5846 -0.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3983 3.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 1.3330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 1.3330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.2177 -3.3613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4907 0.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6726 -2.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4907 -0.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7602 -4.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2152 -3.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 0.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7590 -4.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1767 -3.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1288 -1.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8433 5.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2994 -5.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 2.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6943 -4.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3547 1.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2594 -5.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.0651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1387 1.9532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1701 0.9920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7951 2.5364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9238 2.6345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8257 1.7632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5217 -1.5187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7026 -1.3906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1900 -0.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5774 2.1216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5774 -1.1876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8270 3.4864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0619 2.7248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3800 1.3330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0264 -0.3659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8344 -3.2307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9631 0.7770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1900 -0.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0369 0.1570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8100 2.7360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0953 -4.6723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8463 -2.8725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6806 -1.8146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4117 -0.9800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5771 -1.2489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4478 5.0575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9813 5.7999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2389 5.3334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6417 -5.6524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9174 1.9870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6077 1.5884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0750 -4.3490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9787 -5.7482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 3.3751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 3.6020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 2.7551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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42 77 1 0 0 0 0
M END
$$$$