B9VK4M
-OEChem-04012113112D
38 40 0 0 0 0 0 0 0999 V2000
3.0878 -3.3815 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0878 -3.3815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0878 -3.3815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4067 3.8799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 0.6185 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5878 2.1573 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0068 -0.3899 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 -0.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8968 1.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 -2.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2788 1.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 2.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9538 -0.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2218 -0.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9538 -1.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2218 -1.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8479 0.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 -4.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5910 1.5664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0558 -0.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5421 1.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7500 0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6891 1.0147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4908 -0.5715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6848 -0.5715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4908 -2.1915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6848 -2.1915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4860 3.3131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 2.5204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4678 -4.3815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 -5.0015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7078 -4.3815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4621 2.1728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5950 -0.4957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0028 1.6722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3396 0.0876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0423 4.3815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 2 0 0 0 0
1 10 1 0 0 0 0
1 19 1 0 0 0 0
4 18 1 0 0 0 0
4 38 1 0 0 0 0
5 8 1 0 0 0 0
5 9 1 0 0 0 0
5 11 1 0 0 0 0
6 9 2 0 0 0 0
6 12 1 0 0 0 0
7 21 1 0 0 0 0
7 23 2 0 0 0 0
8 13 2 0 0 0 0
8 14 1 0 0 0 0
9 17 1 0 0 0 0
10 15 2 0 0 0 0
10 16 1 0 0 0 0
11 12 2 0 0 0 0
11 24 1 0 0 0 0
12 18 1 0 0 0 0
13 15 1 0 0 0 0
13 25 1 0 0 0 0
14 16 2 0 0 0 0
14 26 1 0 0 0 0
15 27 1 0 0 0 0
16 28 1 0 0 0 0
17 20 1 0 0 0 0
17 21 2 0 0 0 0
18 29 1 0 0 0 0
18 30 1 0 0 0 0
19 31 1 0 0 0 0
19 32 1 0 0 0 0
19 33 1 0 0 0 0
20 22 2 0 0 0 0
20 34 1 0 0 0 0
21 35 1 0 0 0 0
22 23 1 0 0 0 0
22 36 1 0 0 0 0
23 37 1 0 0 0 0
M END
$$$$