B85INZ
-OEChem-04022109112D
35 37 0 1 0 0 0 0 0999 V2000
2.0000 0.7306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.2306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5772 2.2003 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4103 -1.9647 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.7694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4103 -3.5742 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6750 2.8184 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.3660 3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0570 2.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6261 2.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9939 -2.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7720 2.2060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9725 3.8983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3012 4.3860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4308 4.3860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7596 3.8983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4906 3.0705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7470 2.2814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3426 0.6229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 1.3132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -0.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -1.9594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -3.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6139 -2.7694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 2 0 0 0 0
2 17 2 0 0 0 0
3 10 1 0 0 0 0
3 13 1 0 0 0 0
3 14 1 0 0 0 0
4 15 1 0 0 0 0
4 17 1 0 0 0 0
4 32 1 0 0 0 0
5 7 1 0 0 0 0
5 18 1 0 0 0 0
5 20 1 0 0 0 0
6 16 3 0 0 0 0
7 22 2 0 0 0 0
8 20 1 0 0 0 0
8 21 2 0 0 0 0
9 20 2 0 0 0 0
9 22 1 0 0 0 0
10 11 1 0 0 0 0
10 16 1 1 0 0 0
10 23 1 0 0 0 0
11 12 1 0 0 0 0
11 24 1 0 0 0 0
11 25 1 0 0 0 0
12 13 1 0 0 0 0
12 26 1 0 0 0 0
12 27 1 0 0 0 0
13 28 1 0 0 0 0
13 29 1 0 0 0 0
14 15 1 0 0 0 0
15 30 1 0 0 0 0
15 31 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 21 1 0 0 0 0
19 33 1 0 0 0 0
21 34 1 0 0 0 0
22 35 1 0 0 0 0
M END
$$$$