B3LT5J
-OEChem-04022102322D
41 43 0 0 0 0 0 0 0999 V2000
5.3147 -1.3988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 2.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 -3.3988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9128 4.1012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 -2.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4782 -4.3933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -4.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 3.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 4.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 2.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 4.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9128 3.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9791 -2.4551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1675 -2.6276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5430 -5.0099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0982 -4.3933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5851 -3.2744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4984 -4.0996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9336 -4.8534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6916 -5.1909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6608 -3.4814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0593 -2.7911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2366 -1.3162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8381 -2.0064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7177 -0.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9118 -0.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7177 1.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9118 1.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6438 4.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 1.9812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 5.2212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4497 2.7912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 1 0 0 0 0
1 11 1 0 0 0 0
2 16 1 0 0 0 0
2 17 1 0 0 0 0
3 5 1 0 0 0 0
3 6 1 0 0 0 0
3 9 1 0 0 0 0
4 20 2 0 0 0 0
4 21 1 0 0 0 0
5 7 1 0 0 0 0
5 22 1 0 0 0 0
5 23 1 0 0 0 0
6 8 1 0 0 0 0
6 24 1 0 0 0 0
6 25 1 0 0 0 0
7 8 1 0 0 0 0
7 26 1 0 0 0 0
7 27 1 0 0 0 0
8 28 1 0 0 0 0
8 29 1 0 0 0 0
9 10 1 0 0 0 0
9 30 1 0 0 0 0
9 31 1 0 0 0 0
10 32 1 0 0 0 0
10 33 1 0 0 0 0
11 12 2 0 0 0 0
11 13 1 0 0 0 0
12 14 1 0 0 0 0
12 34 1 0 0 0 0
13 15 2 0 0 0 0
13 35 1 0 0 0 0
14 16 2 0 0 0 0
14 36 1 0 0 0 0
15 16 1 0 0 0 0
15 37 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
18 20 1 0 0 0 0
18 38 1 0 0 0 0
19 21 2 0 0 0 0
19 39 1 0 0 0 0
20 40 1 0 0 0 0
21 41 1 0 0 0 0
M END
$$$$