B1GDO5
-OEChem-04012114112D
56 60 0 0 0 0 0 0 0999 V2000
6.3981 -1.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.7942 4.7742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -4.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.3321 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4260 -2.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3321 -4.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4260 -4.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 -2.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 -4.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0241 2.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0241 4.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9301 3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9301 4.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9429 -3.3353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5411 -2.6455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8196 -2.2363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0214 -2.2456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5411 -4.8545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9429 -4.1647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0214 -5.2544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8196 -5.2637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1291 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 -2.0954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 -5.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 -2.9171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 -4.5829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9951 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4762 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8747 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9350 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8612 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0169 2.0954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0169 5.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4659 2.9171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3324 4.4662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 23 2 0 0 0 0
2 27 1 0 0 0 0
2 33 1 0 0 0 0
3 28 2 0 0 0 0
4 34 1 0 0 0 0
4 56 1 0 0 0 0
5 33 2 0 0 0 0
6 15 2 0 0 0 0
6 18 1 0 0 0 0
7 16 1 0 0 0 0
7 23 1 0 0 0 0
7 43 1 0 0 0 0
8 9 1 0 0 0 0
8 23 1 0 0 0 0
8 48 1 0 0 0 0
9 28 1 0 0 0 0
9 51 1 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
10 35 1 0 0 0 0
10 36 1 0 0 0 0
11 13 1 0 0 0 0
11 37 1 0 0 0 0
11 38 1 0 0 0 0
12 14 1 0 0 0 0
12 39 1 0 0 0 0
12 40 1 0 0 0 0
13 15 1 0 0 0 0
13 16 2 0 0 0 0
14 15 1 0 0 0 0
14 41 1 0 0 0 0
14 42 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
17 19 2 0 0 0 0
18 20 2 0 0 0 0
19 21 1 0 0 0 0
19 44 1 0 0 0 0
20 22 1 0 0 0 0
20 45 1 0 0 0 0
21 22 2 0 0 0 0
21 46 1 0 0 0 0
22 47 1 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
24 29 2 0 0 0 0
25 28 1 0 0 0 0
25 49 1 0 0 0 0
25 50 1 0 0 0 0
26 27 2 0 0 0 0
26 30 1 0 0 0 0
27 31 1 0 0 0 0
29 33 1 0 0 0 0
29 52 1 0 0 0 0
30 32 2 0 0 0 0
30 53 1 0 0 0 0
31 34 2 0 0 0 0
31 54 1 0 0 0 0
32 34 1 0 0 0 0
32 55 1 0 0 0 0
M END
$$$$