BV5FE8
-OEChem-04012112182D
52 55 0 1 0 0 0 0 0999 V2000
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8.7227 1.1833 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
9.2194 2.0513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2260 0.3154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 0.6558 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
7.8547 1.6800 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4088 1.7793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4088 -0.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4339 1.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4339 -0.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1906 1.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1906 0.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0846 1.6905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0846 -0.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9906 1.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.6558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9906 0.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5906 0.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5945 -0.3133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4547 1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3265 -0.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4624 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3227 0.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1945 -0.8033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0586 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1983 -1.8033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9265 -0.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0663 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9304 -1.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.1398 2.3379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1398 -1.0263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8936 -0.8542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4339 2.1768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8294 1.6948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8294 -0.3831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4339 -0.8651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0774 2.3104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0774 -0.9988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.2758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3800 0.6558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.0358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5264 -0.1771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8524 2.3000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0588 -0.6254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4523 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4648 -1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8584 1.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0562 0.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6626 -2.1154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.4622 -0.4846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0687 -2.9200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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28 52 1 0 0 0 0
M END
$$$$