B2SO1Y
-OEChem-04022109122D
79 84 0 0 0 0 0 0 0999 V2000
12.2429 -6.1012 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
15.7070 1.8988 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
12.2429 1.8988 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
10.5109 1.8988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7788 -0.1012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6448 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.5109 -3.1012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 2.8988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.7788 1.8988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 4.8988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.2429 -3.1012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9128 3.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7788 2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9128 1.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 3.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6448 1.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 4.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6448 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 4.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 3.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 4.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5109 -0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3769 -1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1090 -1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5109 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2429 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3769 -2.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1090 -2.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9750 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2429 -4.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4782 5.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 4.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9750 -0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1090 -4.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 6.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 5.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1090 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.8410 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1090 -5.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9750 -4.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.8410 1.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1090 1.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9750 -6.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.8410 -4.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9750 1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.8410 -5.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3113 3.8737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5143 3.8737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4362 2.0064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8347 1.3162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3894 2.7911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9909 3.4814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5143 0.9238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3113 0.9238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7177 4.7088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 2.2788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 5.5188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9118 3.0888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0478 0.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2429 -0.4812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6459 -2.9112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1870 -1.6838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.5856 -0.9936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6323 -3.9936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0309 -4.6838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9389 6.3082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5402 3.8856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2478 6.6676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3834 5.1704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5720 0.0888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.3779 0.0888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.9750 -3.4812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1079 -1.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.9750 -6.7212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.3779 -4.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.9750 2.5188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.3779 -5.9112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 41 1 0 0 0 0
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47 78 1 0 0 0 0
48 79 1 0 0 0 0
M END
$$$$