B9I8KU
-OEChem-04022106222D
52 55 0 1 0 0 0 0 0999 V2000
2.7431 -0.1235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.0210 3.4726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2224 -3.9752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4904 -3.9752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3564 0.5248 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1654 1.1126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5474 1.1126 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.8564 2.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8564 2.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5963 0.8036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3564 -0.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4442 2.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3884 -0.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8532 1.4727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4904 -0.9752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2224 -0.9752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4387 2.7681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0374 3.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4374 -0.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9021 1.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 0.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4904 -1.9752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2224 -1.9752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0265 3.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3564 -2.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6252 4.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6197 4.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3564 -3.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.5456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6088 4.2816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1090 1.5510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9212 2.6802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2499 2.1925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8492 -0.5895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9821 2.0791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9534 -0.6652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7594 -0.6652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6909 2.2017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4208 3.8510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3084 -1.0901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4414 1.5785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9534 -2.2852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7594 -2.2852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3730 5.1616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9842 4.9923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4149 1.0064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5392 0.9605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5851 0.0849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1104 3.9172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9732 4.7832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1072 4.6460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2224 -4.5952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 21 1 0 0 0 0
1 29 1 0 0 0 0
2 24 1 0 0 0 0
2 30 1 0 0 0 0
3 28 1 0 0 0 0
3 52 1 0 0 0 0
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29 46 1 0 0 0 0
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30 49 1 0 0 0 0
30 50 1 0 0 0 0
30 51 1 0 0 0 0
M END
$$$$