BPQZ25
-OEChem-04012120042D
36 36 0 1 0 0 0 0 0999 V2000
5.9081 0.7906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4440 -3.2094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1760 -3.2094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0420 2.2906 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1760 -0.2094 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -1.7094 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7532 2.2603 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.8511 2.8784 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5420 3.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5420 3.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2330 2.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0420 1.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3100 -1.7094 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.1760 0.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3100 -0.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8021 2.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3100 -1.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3100 -2.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9481 2.2660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1485 3.9583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4772 4.4460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6069 4.4460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9356 3.9583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6666 3.1305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9230 2.3414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9640 1.3732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5654 0.6829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0980 -0.1268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6994 -0.8171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7130 -0.5194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3100 -2.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9300 -1.7094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3100 -1.0894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.1725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.2464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4440 -3.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 2 0 0 0 0
2 18 1 0 0 0 0
2 36 1 0 0 0 0
3 18 2 0 0 0 0
4 8 1 0 0 0 0
4 11 1 0 0 0 0
4 12 1 0 0 0 0
5 14 1 0 0 0 0
5 15 1 0 0 0 0
5 30 1 0 0 0 0
6 13 1 0 0 0 0
6 34 1 0 0 0 0
6 35 1 0 0 0 0
7 16 3 0 0 0 0
8 9 1 0 0 0 0
8 16 1 1 0 0 0
8 19 1 0 0 0 0
9 10 1 0 0 0 0
9 20 1 0 0 0 0
9 21 1 0 0 0 0
10 11 1 0 0 0 0
10 22 1 0 0 0 0
10 23 1 0 0 0 0
11 24 1 0 0 0 0
11 25 1 0 0 0 0
12 14 1 0 0 0 0
13 15 1 0 0 0 0
13 17 1 0 0 0 0
13 18 1 0 0 0 0
14 26 1 0 0 0 0
14 27 1 0 0 0 0
15 28 1 0 0 0 0
15 29 1 0 0 0 0
17 31 1 0 0 0 0
17 32 1 0 0 0 0
17 33 1 0 0 0 0
M END
$$$$