B6V1AS
-OEChem-04012116112D
79 83 0 1 0 0 0 0 0999 V2000
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2.8680 1.8692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.3263 2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.3263 -1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.7904 1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 0.3450 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
10.7282 1.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
15.9244 1.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8622 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8622 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7282 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -0.1550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
7.2641 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5320 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5320 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5942 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6381 -0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6381 1.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4602 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5320 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3263 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4602 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5320 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1923 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3263 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1923 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8718 2.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0583 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1923 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4592 0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7316 -0.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5287 -0.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7841 1.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3856 1.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4636 -0.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2607 -0.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2607 2.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4636 2.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9403 -0.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3388 0.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9350 -0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8747 1.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4762 1.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7966 2.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9995 2.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9928 2.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1957 2.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6453 -0.8096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6453 2.4996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9951 -1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8010 -1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9233 0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9951 -2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8010 -2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -3.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.7292 0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7893 3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3079 0.8556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4619 0.6254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6921 -0.2206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4918 2.8668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8742 3.4891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2518 2.8715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.0583 2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8823 -2.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.7292 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.5023 -1.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
17.3273 1.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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40 78 1 0 0 0 0
M END
$$$$