BBN1R3
-OEChem-04012116012D
26 28 0 0 0 0 0 0 0999 V2000
7.0943 0.2082 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
5.5421 2.2786 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.7579 0.8468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2634 1.8174 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 -1.2918 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4782 0.1095 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5486 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 0.3174 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -0.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -1.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 0.1149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 0.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -1.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -2.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2853 1.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -2.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -2.8850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 -0.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7634 0.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7778 0.4249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7177 -1.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9118 -2.6950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7177 -2.6950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -3.5050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5156 2.3838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6710 2.8850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 1 0 0 0 0
1 19 1 0 0 0 0
2 15 1 0 0 0 0
2 26 1 0 0 0 0
3 19 2 0 0 0 0
4 15 1 0 0 0 0
4 19 1 0 0 0 0
4 25 1 0 0 0 0
5 7 2 0 0 0 0
5 18 1 0 0 0 0
6 8 2 0 0 0 0
6 18 1 0 0 0 0
7 8 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
9 13 1 0 0 0 0
10 14 1 0 0 0 0
10 18 2 0 0 0 0
11 12 1 0 0 0 0
11 20 1 0 0 0 0
12 15 2 0 0 0 0
13 16 2 0 0 0 0
13 21 1 0 0 0 0
14 17 2 0 0 0 0
14 22 1 0 0 0 0
16 17 1 0 0 0 0
16 23 1 0 0 0 0
17 24 1 0 0 0 0
M END
$$$$