B8DPN1
-OEChem-04012119012D
47 49 0 1 0 0 0 0 0999 V2000
3.0000 0.0224 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 0.0224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.0224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9680 0.3230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 1.0224 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
5.5032 1.9702 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8090 1.6101 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.5000 2.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 2.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1910 1.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7601 1.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -0.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 -1.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -1.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4543 1.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 -2.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -2.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -2.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1974 2.3304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -3.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1485 2.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9895 3.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8916 2.6905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7326 3.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6837 3.6686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9060 0.9978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1064 2.6901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4352 3.1778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5648 3.1778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8936 2.6901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6246 1.8623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8810 1.0732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3743 2.5767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1632 1.1138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9428 1.2795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5970 -1.1676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4030 -1.1676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5970 -2.7877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4030 -2.7877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3800 -3.9776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -4.5976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6200 -3.9776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2774 1.4149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3998 3.5001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4813 2.4989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6038 4.5841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1445 4.0835 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 5 1 0 0 0 0
1 12 1 0 0 0 0
4 11 2 0 0 0 0
5 7 1 0 0 0 0
5 10 1 0 0 0 0
6 11 1 0 0 0 0
6 15 1 0 0 0 0
6 33 1 0 0 0 0
7 8 1 0 0 0 0
7 11 1 0 0 0 0
7 26 1 0 0 0 0
8 9 1 0 0 0 0
8 27 1 0 0 0 0
8 28 1 0 0 0 0
9 10 1 0 0 0 0
9 29 1 0 0 0 0
9 30 1 0 0 0 0
10 31 1 0 0 0 0
10 32 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
13 16 1 0 0 0 0
13 36 1 0 0 0 0
14 17 2 0 0 0 0
14 37 1 0 0 0 0
15 19 1 0 0 0 0
15 34 1 0 0 0 0
15 35 1 0 0 0 0
16 18 2 0 0 0 0
16 38 1 0 0 0 0
17 18 1 0 0 0 0
17 39 1 0 0 0 0
18 20 1 0 0 0 0
19 21 2 0 0 0 0
19 22 1 0 0 0 0
20 40 1 0 0 0 0
20 41 1 0 0 0 0
20 42 1 0 0 0 0
21 23 1 0 0 0 0
21 43 1 0 0 0 0
22 24 2 0 0 0 0
22 44 1 0 0 0 0
23 25 2 0 0 0 0
23 45 1 0 0 0 0
24 25 1 0 0 0 0
24 46 1 0 0 0 0
25 47 1 0 0 0 0
M END
$$$$