D0C2NQ
-OEChem-10101305022D
35 35 0 1 0 0 0 0 0999 V2000
5.4641 -0.7094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1013 1.7385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5661 0.0912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.7906 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.7094 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
5.4071 1.3784 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.0981 2.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7891 1.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0981 2.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.7094 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 -0.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3582 1.0694 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0
5.5401 0.5388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7045 2.4583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0333 2.9460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2227 1.6305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4791 0.8414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1629 2.9460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4916 2.4583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.0194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1120 -1.7094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3520 -1.7094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -0.1725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.0194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -1.2464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4860 0.7906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.4106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2460 0.7906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6910 1.5469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1557 -0.1004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 11 2 0 0 0 0
2 15 1 0 0 0 0
2 34 1 0 0 0 0
3 15 1 0 0 0 0
3 35 1 0 0 0 0
4 6 1 0 0 0 0
4 8 1 0 0 0 0
4 11 1 0 0 0 0
10 5 1 1 0 0 0
5 25 1 0 0 0 0
5 26 1 0 0 0 0
5 27 1 0 0 0 0
6 7 1 0 0 0 0
6 15 1 0 0 0 0
6 16 1 6 0 0 0
7 9 1 0 0 0 0
7 17 1 0 0 0 0
7 18 1 0 0 0 0
8 9 1 0 0 0 0
8 19 1 0 0 0 0
8 20 1 0 0 0 0
9 21 1 0 0 0 0
9 22 1 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
10 23 1 0 0 0 0
12 13 1 0 0 0 0
12 14 1 0 0 0 0
12 24 1 0 0 0 0
13 28 1 0 0 0 0
13 29 1 0 0 0 0
13 30 1 0 0 0 0
14 31 1 0 0 0 0
14 32 1 0 0 0 0
14 33 1 0 0 0 0
M CHG 1 5 1
M END
$$$$