B7VT1J
-OEChem-04012117462D
22 22 0 0 0 0 0 0 0999 V2000
4.4411 2.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 -1.1307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5691 -0.5429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.8424 1.1126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 -0.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2601 0.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2601 0.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.8519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 -2.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8479 1.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4302 1.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8956 0.9097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8084 -0.2623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4103 -1.0435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1916 -1.4416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1401 -2.1307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 -2.7507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3801 -2.1307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0946 0.5462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9318 1.5572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7946 2.4232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9286 2.2861 0.0000 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
$$$$