D00HET
-OEChem-10101305032D
43 46 0 0 0 0 0 0 0999 V2000
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2.8660 2.4680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4103 2.2728 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4103 0.6633 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9939 1.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9939 1.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4939 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4939 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9939 -0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4939 -1.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9939 -0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4939 -1.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9939 -1.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4939 -2.8621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4939 -1.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4939 -2.8621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4939 -1.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9939 -1.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5765 1.6801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8863 2.0786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6029 2.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.1520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8039 1.1389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3739 -0.2640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 0.6580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6139 -0.2640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1839 -1.6670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1839 -3.3990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1839 -0.5931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 2.5050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 1.6580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 1.4311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8039 -3.3990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8039 -0.5931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6139 -1.9961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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25 43 1 0 0 0 0
M END
$$$$