BAQ5E4
-OEChem-04012116532D
59 63 0 1 0 0 0 0 0999 V2000
4.5827 -1.0351 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.4487 -1.5352 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.7166 -3.5352 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.4487 -6.5352 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.4487 -2.5352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2088 2.7436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9487 4.0036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4487 2.4648 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9487 4.0036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 -2.0352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3147 -0.0352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 -2.4420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -0.8328 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.6988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5365 4.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5310 4.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1297 5.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1188 5.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7175 6.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7121 6.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2577 3.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4487 -2.5352 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.4487 -1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6397 3.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -2.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4487 1.4648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4487 -3.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4487 -0.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5827 0.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5827 -0.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3147 0.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5827 -4.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3147 -4.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5827 -5.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3147 -5.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4782 -1.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4487 -5.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9199 4.8775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3601 4.1121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0883 4.4363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6991 6.1722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6158 5.3795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5495 5.0712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6328 5.8638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8884 7.1312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1603 6.8070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3136 6.5807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6688 7.0492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9738 -2.9337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6092 -1.9363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0500 2.8610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0457 1.2748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0457 -0.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8517 1.2748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7587 -3.0722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8517 -3.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0457 -5.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8517 -5.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9389 -0.6258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 23 1 0 0 0 0
2 23 1 0 0 0 0
3 32 1 0 0 0 0
4 37 1 0 0 0 0
5 22 1 0 0 0 0
5 55 1 0 0 0 0
6 21 2 0 0 0 0
7 9 1 0 0 0 0
7 15 1 0 0 0 0
7 21 1 0 0 0 0
8 21 1 0 0 0 0
8 24 1 0 0 0 0
8 26 1 0 0 0 0
9 24 2 0 0 0 0
10 12 1 0 0 0 0
10 25 1 0 0 0 0
10 36 1 0 0 0 0
11 28 2 0 0 0 0
11 31 1 0 0 0 0
12 14 2 0 0 0 0
13 14 1 0 0 0 0
13 36 2 0 0 0 0
15 16 1 0 0 0 0
15 17 1 0 0 0 0
15 38 1 0 0 0 0
16 18 1 0 0 0 0
16 39 1 0 0 0 0
16 40 1 0 0 0 0
17 19 1 0 0 0 0
17 41 1 0 0 0 0
17 42 1 0 0 0 0
18 20 1 0 0 0 0
18 43 1 0 0 0 0
18 44 1 0 0 0 0
19 20 1 0 0 0 0
19 45 1 0 0 0 0
19 46 1 0 0 0 0
20 47 1 0 0 0 0
20 48 1 0 0 0 0
22 23 1 0 0 0 0
22 25 1 0 0 0 0
22 27 1 0 0 0 0
23 28 1 0 0 0 0
24 51 1 0 0 0 0
25 49 1 0 0 0 0
25 50 1 0 0 0 0
26 29 1 0 0 0 0
26 31 2 0 0 0 0
27 32 2 0 0 0 0
27 33 1 0 0 0 0
28 30 1 0 0 0 0
29 30 2 0 0 0 0
29 52 1 0 0 0 0
30 53 1 0 0 0 0
31 54 1 0 0 0 0
32 34 1 0 0 0 0
33 35 2 0 0 0 0
33 56 1 0 0 0 0
34 37 2 0 0 0 0
34 57 1 0 0 0 0
35 37 1 0 0 0 0
35 58 1 0 0 0 0
36 59 1 0 0 0 0
M END
$$$$