BZ5RL3
-OEChem-04012120052D
34 35 0 1 0 0 0 0 0999 V2000
6.1808 -0.2953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 1.2047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 0.2047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4782 -2.7898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.1317 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 1.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 1.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 2.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 2.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 3.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 0.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -0.2953 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.4487 -1.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 -1.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 -1.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -2.9977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8381 1.8124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2366 1.1221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3928 1.1221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7913 1.8124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2366 3.2873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8381 2.5970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7913 2.5970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3928 3.2873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7133 3.6796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9162 3.6796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9118 -0.6053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6608 -1.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0593 -1.1877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0457 -0.1053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 0.8247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9389 -3.2047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5402 -0.7821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2478 -3.5641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 11 2 0 0 0 0
2 6 1 0 0 0 0
2 7 1 0 0 0 0
2 11 1 0 0 0 0
3 12 1 0 0 0 0
3 30 1 0 0 0 0
3 31 1 0 0 0 0
4 14 1 0 0 0 0
4 16 1 0 0 0 0
4 32 1 0 0 0 0
5 15 1 0 0 0 0
5 16 2 0 0 0 0
6 8 1 0 0 0 0
6 17 1 0 0 0 0
6 18 1 0 0 0 0
7 9 1 0 0 0 0
7 19 1 0 0 0 0
7 20 1 0 0 0 0
8 10 1 0 0 0 0
8 21 1 0 0 0 0
8 22 1 0 0 0 0
9 10 1 0 0 0 0
9 23 1 0 0 0 0
9 24 1 0 0 0 0
10 25 1 0 0 0 0
10 26 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
12 27 1 0 0 0 0
13 14 1 0 0 0 0
13 28 1 0 0 0 0
13 29 1 0 0 0 0
14 15 2 0 0 0 0
15 33 1 0 0 0 0
16 34 1 0 0 0 0
M END
$$$$