D08USU
-OEChem-10101305022D
41 43 0 1 0 0 0 0 0999 V2000
8.9192 0.3870 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.2568 0.1071 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.2542 -1.6347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5591 -2.9252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.2064 -2.3900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0269 -0.4315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1372 2.9164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8094 2.4646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9681 -0.9220 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2542 0.7907 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9681 0.0780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.5070 -0.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9192 -1.2310 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.9598 0.0821 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.9598 -0.9262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3160 0.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3160 -1.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2282 -2.1821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2878 0.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5821 1.2424 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.6156 0.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8429 2.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8398 1.6165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2554 0.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8369 0.9178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4808 -1.6694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1989 0.6542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6804 -0.3358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8176 0.5302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9516 0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9516 -1.5114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8176 -1.3742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6804 -0.5082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4159 1.3892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1446 1.6817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7507 -3.5149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8735 2.2356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5920 -0.4679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4216 1.2970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2989 3.5149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 11 1 0 0 0 0
1 12 1 0 0 0 0
2 24 1 0 0 0 0
2 25 1 0 0 0 0
3 15 2 0 0 0 0
4 18 1 0 0 0 0
4 37 1 0 0 0 0
5 18 2 0 0 0 0
6 19 2 0 0 0 0
7 22 1 0 0 0 0
7 41 1 0 0 0 0
8 22 2 0 0 0 0
9 11 1 0 0 0 0
9 13 1 0 0 0 0
9 15 1 0 0 0 0
14 10 1 1 0 0 0
10 19 1 0 0 0 0
10 35 1 0 0 0 0
11 14 1 0 0 0 0
11 26 1 6 0 0 0
12 13 1 0 0 0 0
12 16 1 0 0 0 0
12 17 1 0 0 0 0
13 18 1 6 0 0 0
13 27 1 0 0 0 0
14 15 1 0 0 0 0
14 28 1 0 0 0 0
16 29 1 0 0 0 0
16 30 1 0 0 0 0
16 31 1 0 0 0 0
17 32 1 0 0 0 0
17 33 1 0 0 0 0
17 34 1 0 0 0 0
20 19 1 6 0 0 0
20 21 1 0 0 0 0
20 22 1 0 0 0 0
20 36 1 0 0 0 0
21 23 1 0 0 0 0
21 24 2 0 0 0 0
23 25 2 0 0 0 0
23 38 1 0 0 0 0
24 39 1 0 0 0 0
25 40 1 0 0 0 0
M END
$$$$