D06GTS
-OEChem-10191521492D
43 47 0 0 0 0 0 0 0999 V2000
10.3214 -0.4724 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
9.4496 -1.9690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6164 1.3870 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9233 1.0551 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.4534 -0.9690 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
4.1912 1.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0573 0.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9233 -0.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0882 2.0438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7893 -0.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1097 2.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0573 -0.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7893 0.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2835 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9233 -1.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6833 -0.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7560 2.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6833 1.0898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7990 3.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5893 -0.4657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5893 0.5759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4454 3.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4669 3.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7893 -2.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0573 -2.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7893 -3.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0573 -3.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9233 -3.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5203 -0.7549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1556 0.0433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.3201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6761 -1.5995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3627 2.6603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6761 1.7097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1923 3.3284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1251 0.8880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8594 4.2001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3263 -2.1349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5203 -2.1349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2743 4.5342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3263 -3.7549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5203 -3.7549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9233 -4.5649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0 0 0 0
2 5 2 0 0 0 0
3 11 1 0 0 0 0
3 14 1 0 0 0 0
3 31 1 0 0 0 0
4 7 2 0 0 0 0
4 13 1 0 0 0 0
5 20 1 0 0 0 0
6 7 1 0 0 0 0
6 9 1 0 0 0 0
6 14 2 0 0 0 0
7 12 1 0 0 0 0
8 10 1 0 0 0 0
8 12 2 0 0 0 0
8 15 1 0 0 0 0
9 11 1 0 0 0 0
9 17 2 0 0 0 0
10 13 2 0 0 0 0
10 16 1 0 0 0 0
11 19 2 0 0 0 0
12 29 1 0 0 0 0
13 18 1 0 0 0 0
14 30 1 0 0 0 0
15 24 2 0 0 0 0
15 25 1 0 0 0 0
16 20 2 0 0 0 0
16 32 1 0 0 0 0
17 22 1 0 0 0 0
17 33 1 0 0 0 0
18 21 2 0 0 0 0
18 34 1 0 0 0 0
19 23 1 0 0 0 0
19 35 1 0 0 0 0
20 21 1 0 0 0 0
21 36 1 0 0 0 0
22 23 2 0 0 0 0
22 37 1 0 0 0 0
23 40 1 0 0 0 0
24 26 1 0 0 0 0
24 38 1 0 0 0 0
25 27 2 0 0 0 0
25 39 1 0 0 0 0
26 28 2 0 0 0 0
26 41 1 0 0 0 0
27 28 1 0 0 0 0
27 42 1 0 0 0 0
28 43 1 0 0 0 0
M CHG 2 1 -1 5 1
M END
$$$$