B9DI0K
-OEChem-04012112583D
25 25 0 0 0 0 0 0 0999 V2000
-3.1072 -0.0038 1.1790 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3634 0.0020 -0.3960 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0710 0.0039 -0.5871 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6730 1.2651 0.0373 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6682 -1.2630 0.0292 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1971 1.2614 -0.0533 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1923 -1.2641 -0.0595 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7929 -0.0040 0.5575 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2053 0.0043 -1.5849 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9187 -0.0019 0.8778 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2832 0.0071 -1.6645 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3972 1.3696 1.0930 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2802 2.1551 -0.4701 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2732 -2.1485 -0.4844 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3915 -1.3739 1.0840 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5999 2.1431 0.4578 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4998 1.3361 -1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4957 -1.3350 -1.1113 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5914 -2.1498 0.4475 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8795 -0.0057 0.4153 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6119 -0.0063 1.6394 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9848 0.9012 -2.1709 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2649 0.0026 -1.3165 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9830 -0.8889 -2.1757 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1609 -0.0021 1.6750 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 2 0 0 0 0
2 3 1 0 0 0 0
2 9 1 0 0 0 0
2 10 1 0 0 0 0
3 4 1 0 0 0 0
3 5 1 0 0 0 0
3 11 1 0 0 0 0
4 6 1 0 0 0 0
4 12 1 0 0 0 0
4 13 1 0 0 0 0
5 7 1 0 0 0 0
5 14 1 0 0 0 0
5 15 1 0 0 0 0
6 8 1 0 0 0 0
6 16 1 0 0 0 0
6 17 1 0 0 0 0
7 8 1 0 0 0 0
7 18 1 0 0 0 0
7 19 1 0 0 0 0
8 20 1 0 0 0 0
8 21 1 0 0 0 0
9 22 1 0 0 0 0
9 23 1 0 0 0 0
9 24 1 0 0 0 0
10 25 1 0 0 0 0
M END
$$$$