D02YYQ
-OEChem-10101305022D
37 39 0 1 0 0 0 0 0999 V2000
4.4026 0.0451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7485 -1.0468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7523 1.1288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0696 3.7078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -1.7155 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3548 2.5466 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -3.3249 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5202 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.0202 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.5202 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.7178 4.2402 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9405 -0.4576 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.9422 0.5424 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.9889 -0.7650 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.9917 0.8531 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.6844 1.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 -2.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0474 3.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4934 -0.1771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4942 0.2600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4266 -1.2041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3795 0.9511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3035 2.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1364 1.5145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3154 -0.7956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3182 0.8756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8819 -2.5202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9610 2.4167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.7102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -4.8302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -4.8302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5273 4.8302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3240 4.1103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 1 0 0 0 0
1 15 1 0 0 0 0
12 2 1 1 0 0 0
2 29 1 0 0 0 0
13 3 1 1 0 0 0
3 30 1 0 0 0 0
4 21 2 0 0 0 0
14 5 1 6 0 0 0
5 17 1 0 0 0 0
5 18 1 0 0 0 0
6 16 1 0 0 0 0
6 21 1 0 0 0 0
6 32 1 0 0 0 0
7 18 2 0 0 0 0
7 19 1 0 0 0 0
8 17 2 0 0 0 0
8 22 1 0 0 0 0
9 20 1 0 0 0 0
9 22 2 0 0 0 0
10 20 1 0 0 0 0
10 34 1 0 0 0 0
10 35 1 0 0 0 0
11 21 1 0 0 0 0
11 36 1 0 0 0 0
11 37 1 0 0 0 0
12 13 1 0 0 0 0
12 14 1 0 0 0 0
12 23 1 0 0 0 0
13 15 1 0 0 0 0
13 24 1 0 0 0 0
14 25 1 0 0 0 0
15 16 1 6 0 0 0
15 26 1 0 0 0 0
16 27 1 0 0 0 0
16 28 1 0 0 0 0
17 19 1 0 0 0 0
18 31 1 0 0 0 0
19 20 2 0 0 0 0
22 33 1 0 0 0 0
M END
$$$$