BK9S3V
-OEChem-04042104563D
26 27 0 0 0 0 0 0 0999 V2000
0.5026 1.8640 -0.0001 S 0 0 0 0 0 0 0 0 0 0 0 0
-2.8088 -0.2721 0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4795 1.9968 -0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6070 -1.8438 -0.0010 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4758 -0.5313 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8679 0.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0458 -0.6547 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5961 0.5608 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4858 -1.5238 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2271 1.1811 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8350 -1.1598 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9961 0.8474 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1994 0.1792 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2247 -0.0569 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9273 -1.3978 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2238 -2.5790 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5217 2.2267 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6006 -1.9305 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2511 0.4526 0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1214 -2.7357 -0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6197 -1.9178 -0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5053 0.5100 0.8949 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5059 0.5100 -0.8935 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0133 -1.2705 0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6396 -1.9834 -0.8786 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6390 -1.9833 0.8802 H 0 0 0 0 0 0 0 0 0 0 0 0
1 6 1 0 0 0 0
1 8 1 0 0 0 0
2 12 1 0 0 0 0
2 14 1 0 0 0 0
3 12 2 0 0 0 0
4 7 1 0 0 0 0
4 20 1 0 0 0 0
4 21 1 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 9 2 0 0 0 0
6 10 2 0 0 0 0
7 8 2 0 0 0 0
8 12 1 0 0 0 0
9 11 1 0 0 0 0
9 16 1 0 0 0 0
10 13 1 0 0 0 0
10 17 1 0 0 0 0
11 13 2 0 0 0 0
11 18 1 0 0 0 0
13 19 1 0 0 0 0
14 15 1 0 0 0 0
14 22 1 0 0 0 0
14 23 1 0 0 0 0
15 24 1 0 0 0 0
15 25 1 0 0 0 0
15 26 1 0 0 0 0
M END
$$$$