D0N5KS
-OEChem-10101305022D
38 41 0 1 0 0 0 0 0999 V2000
11.0828 0.5982 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.5385 1.7934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.2706 1.7934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3320 1.0678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.6725 0.2934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.2706 -1.2066 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8320 0.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8064 0.7934 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.0000 0.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3496 -1.7301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5476 1.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3155 -1.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 1.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5385 0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4045 0.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2706 0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4045 -0.7066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1366 0.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1366 -0.7066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0828 -1.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6664 -0.2066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3658 -0.2071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2983 1.1708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4500 1.2468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7380 0.3986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7507 -1.8906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5101 -2.3290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1307 1.9702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2880 2.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4974 -2.0640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9013 -1.2683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7620 2.3885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9500 2.1129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6725 -0.3266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8676 -1.0166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2706 -1.8266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2754 -1.6006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2864 -0.2066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 18 1 0 0 0 0
1 21 1 0 0 0 0
2 14 2 0 0 0 0
3 16 2 0 0 0 0
4 11 1 0 0 0 0
4 12 1 0 0 0 0
4 13 1 0 0 0 0
8 5 1 6 0 0 0
5 14 1 0 0 0 0
5 34 1 0 0 0 0
6 17 1 0 0 0 0
6 19 1 0 0 0 0
6 36 1 0 0 0 0
7 8 1 0 0 0 0
7 9 1 0 0 0 0
7 10 1 0 0 0 0
7 22 1 0 0 0 0
8 11 1 0 0 0 0
8 23 1 0 0 0 0
9 13 1 0 0 0 0
9 24 1 0 0 0 0
9 25 1 0 0 0 0
10 12 1 0 0 0 0
10 26 1 0 0 0 0
10 27 1 0 0 0 0
11 28 1 0 0 0 0
11 29 1 0 0 0 0
12 30 1 0 0 0 0
12 31 1 0 0 0 0
13 32 1 0 0 0 0
13 33 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
15 17 2 0 0 0 0
16 18 1 0 0 0 0
17 35 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
20 37 1 0 0 0 0
21 38 1 0 0 0 0
M END
$$$$