BBO83T
-OEChem-04022103153D
35 37 0 0 0 0 0 0 0999 V2000
0.0069 1.8357 -0.0027 S 0 0 0 0 0 0 0 0 0 0 0 0
5.7058 1.9184 -0.0030 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9015 2.2804 0.0054 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6925 1.6486 -0.0048 N 0 0 0 0 0 0 0 0 0 0 0 0
1.6676 -0.3320 -0.0031 N 0 0 0 0 0 0 0 0 0 0 0 0
5.7107 -0.4010 0.0026 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7125 -1.7307 0.0023 N 0 0 0 0 0 0 0 0 0 0 0 0
5.8250 -2.7391 0.0066 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6800 0.7076 -0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0268 -0.5027 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4991 0.9743 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8056 0.1161 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2522 0.5103 0.0028 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1001 0.8523 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6604 1.0756 0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1161 0.5940 0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1852 -0.3018 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0219 -1.6272 0.0041 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5642 -1.2578 -0.0048 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9439 -1.6758 -0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6334 -2.1537 -0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5865 0.2087 0.0053 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8127 2.6528 -0.0054 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1067 -0.0937 -0.8977 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1032 -0.0919 0.9039 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3180 1.6624 0.0113 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7262 -0.4295 0.0039 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5625 -1.6752 -0.0067 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7680 -2.3843 -0.0055 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4460 -3.2236 -0.0118 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9130 0.4009 1.0321 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6681 1.1368 -0.5705 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2740 -0.5120 -0.4504 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4287 -3.6726 0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8361 -2.6616 0.0077 H 0 0 0 0 0 0 0 0 0 0 0 0
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8 35 1 0 0 0 0
9 10 2 0 0 0 0
9 14 1 0 0 0 0
12 15 1 0 0 0 0
12 16 1 0 0 0 0
12 19 2 0 0 0 0
13 15 1 0 0 0 0
13 24 1 0 0 0 0
13 25 1 0 0 0 0
16 17 2 0 0 0 0
16 26 1 0 0 0 0
17 20 1 0 0 0 0
17 22 1 0 0 0 0
19 21 1 0 0 0 0
19 28 1 0 0 0 0
20 21 2 0 0 0 0
20 29 1 0 0 0 0
21 30 1 0 0 0 0
22 31 1 0 0 0 0
22 32 1 0 0 0 0
22 33 1 0 0 0 0
M END
$$$$