BP29BN
-OEChem-04012118152D
44 48 0 1 0 0 0 0 0999 V2000
7.1051 -3.5033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1588 -0.1985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9271 2.2156 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4268 -0.1985 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1051 -1.8938 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9271 2.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4268 0.8015 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0000 1.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7977 3.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1339 1.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8192 0.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7977 3.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6887 -2.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5547 -3.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5547 -2.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6887 -2.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2928 -0.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2928 -1.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1588 -2.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1588 -3.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4268 -2.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2928 -3.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4268 -3.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4852 2.4858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9996 0.5642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5063 1.4179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6346 0.5420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7797 4.3183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1788 3.6626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6080 1.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4917 2.0149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4713 -0.0439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3376 0.1292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4167 3.7345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7797 4.3183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5282 -2.0997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8899 -0.5085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3427 -3.7812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1653 -3.3062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1653 -2.0909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3427 -1.6159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8899 -1.8885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2928 -4.3185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8899 -3.5085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 16 1 0 0 0 0
1 20 1 0 0 0 0
2 17 2 0 0 0 0
3 10 1 0 0 0 0
3 11 1 0 0 0 0
3 12 1 0 0 0 0
7 4 1 1 0 0 0
4 17 1 0 0 0 0
4 37 1 0 0 0 0
5 16 2 0 0 0 0
5 19 1 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
6 9 1 0 0 0 0
6 24 1 0 0 0 0
7 10 1 0 0 0 0
7 25 1 0 0 0 0
8 11 1 0 0 0 0
8 26 1 0 0 0 0
8 27 1 0 0 0 0
9 12 1 0 0 0 0
9 28 1 0 0 0 0
9 29 1 0 0 0 0
10 30 1 0 0 0 0
10 31 1 0 0 0 0
11 32 1 0 0 0 0
11 33 1 0 0 0 0
12 34 1 0 0 0 0
12 35 1 0 0 0 0
13 14 1 0 0 0 0
13 15 1 0 0 0 0
13 16 1 0 0 0 0
13 36 1 0 0 0 0
14 15 1 0 0 0 0
14 38 1 0 0 0 0
14 39 1 0 0 0 0
15 40 1 0 0 0 0
15 41 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
18 21 1 0 0 0 0
19 20 1 0 0 0 0
20 22 2 0 0 0 0
21 23 2 0 0 0 0
21 42 1 0 0 0 0
22 23 1 0 0 0 0
22 43 1 0 0 0 0
23 44 1 0 0 0 0
M END
$$$$