B7VT1J
-OEChem-04022106343D
22 22 0 0 0 0 0 0 0999 V2000
2.2087 -1.5392 -0.0128 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6106 0.7476 -0.0013 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2870 0.9808 0.0031 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4388 0.7547 0.0124 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.9369 -0.5768 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2373 -0.2478 0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7438 -1.2574 0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3289 -1.0629 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5241 1.8665 -0.0073 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6625 -0.4165 0.0109 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8839 0.7509 -0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6082 -2.3295 0.0064 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8671 -0.7128 0.8836 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8626 -0.7162 -0.8937 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3617 -2.1574 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1448 1.8111 0.8902 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9578 2.8018 -0.0077 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1387 1.8065 -0.9088 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9673 1.6546 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2654 -0.0156 0.6668 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2418 1.7368 0.2925 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2130 0.5325 -1.0316 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 2 0 0 0 0
2 3 1 0 0 0 0
2 5 1 0 0 0 0
2 9 1 0 0 0 0
3 6 2 0 0 0 0
4 10 1 0 0 0 0
4 11 1 0 0 0 0
4 19 1 0 0 0 0
5 7 2 0 0 0 0
5 8 1 0 0 0 0
6 7 1 0 0 0 0
6 10 1 0 0 0 0
7 12 1 0 0 0 0
8 13 1 0 0 0 0
8 14 1 0 0 0 0
8 15 1 0 0 0 0
9 16 1 0 0 0 0
9 17 1 0 0 0 0
9 18 1 0 0 0 0
11 20 1 0 0 0 0
11 21 1 0 0 0 0
11 22 1 0 0 0 0
M END
$$$$