BA2GT5
-OEChem-04012116042D
50 53 0 1 0 0 0 0 0999 V2000
5.9717 3.2852 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.9717 3.2852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9717 3.2852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2396 -0.7148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6166 -3.5446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9717 4.2852 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
5.9717 -0.7148 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9147 -2.8026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6056 -3.7536 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7037 4.2852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8377 5.7852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9717 2.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9717 0.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1056 1.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8377 1.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1056 0.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8377 0.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1056 -2.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1056 4.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6056 -3.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8377 4.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1056 -1.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2966 -2.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0179 -4.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0233 -4.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4246 -5.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4356 -5.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8368 -6.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8423 -6.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7037 6.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5698 4.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5698 5.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5687 2.0952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3746 2.0952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5687 0.4752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3746 0.4752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5086 -1.0248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4156 5.3222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5687 5.0952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7956 4.2483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7070 -2.6110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5043 -2.6110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0412 -5.5410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8190 -5.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0890 -6.8516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4779 -6.6823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7037 6.9052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1067 4.4752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1067 6.0952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.4798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 2 0 0 0 0
1 6 1 0 0 0 0
1 12 1 0 0 0 0
4 22 2 0 0 0 0
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28 29 2 0 0 0 0
28 45 1 0 0 0 0
29 46 1 0 0 0 0
30 32 1 0 0 0 0
30 47 1 0 0 0 0
31 32 2 0 0 0 0
31 48 1 0 0 0 0
32 49 1 0 0 0 0
M END
$$$$