L3EAU1
-OEChem-05032301012D
39 40 0 0 0 0 0 0 0999 V2000
4.3159 3.5352 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
5.1294 1.7081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5471 1.0036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.2578 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0570 -1.6700 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.9538 0.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 -0.7189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6750 -1.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 -0.7189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1349 1.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5526 1.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7281 2.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9092 4.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -4.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -5.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4970 5.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3845 -0.3559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4678 0.4368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2647 -1.8616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0016 -0.2173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6174 1.7248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9360 1.1730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4877 0.4916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2974 3.1722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2141 2.3795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -3.4478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -3.4478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4785 4.8948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3952 4.1021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -5.0678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -5.0678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -5.8778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9986 4.8934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8614 5.7594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9954 5.6222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 1 0 0 0 0
1 16 1 0 0 0 0
2 10 2 0 0 0 0
3 6 1 0 0 0 0
3 10 1 0 0 0 0
3 12 1 0 0 0 0
4 5 1 0 0 0 0
4 8 1 0 0 0 0
4 11 1 0 0 0 0
5 9 2 0 0 0 0
6 7 1 0 0 0 0
6 21 1 0 0 0 0
6 22 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
8 23 1 0 0 0 0
9 24 1 0 0 0 0
10 13 1 0 0 0 0
11 14 2 0 0 0 0
11 15 1 0 0 0 0
12 25 1 0 0 0 0
12 26 1 0 0 0 0
12 27 1 0 0 0 0
13 28 1 0 0 0 0
13 29 1 0 0 0 0
14 17 1 0 0 0 0
14 30 1 0 0 0 0
15 18 2 0 0 0 0
15 31 1 0 0 0 0
16 20 1 0 0 0 0
16 32 1 0 0 0 0
16 33 1 0 0 0 0
17 19 2 0 0 0 0
17 34 1 0 0 0 0
18 19 1 0 0 0 0
18 35 1 0 0 0 0
19 36 1 0 0 0 0
20 37 1 0 0 0 0
20 38 1 0 0 0 0
20 39 1 0 0 0 0
M END
$$$$