D0P3MF
-OEChem-10101305022D
41 41 0 1 0 0 0 0 0999 V2000
8.9889 -2.5789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9331 0.4683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0351 1.2689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7526 -1.2301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9116 -2.5172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1289 1.7044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8231 2.0645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9011 -0.2311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3979 -1.1790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.7671 2.2689 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0921 -0.8189 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.4011 -1.7699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4011 -1.7699 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.7101 -0.8189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1410 -0.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9011 0.7689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4468 -0.8700 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.7671 1.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2389 0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2879 0.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7037 -1.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0800 1.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9951 -0.2065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7947 -1.8988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4659 -2.3865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1196 -2.3223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2765 -1.0710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0201 -0.2819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5268 -1.7854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9076 -0.4551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6055 -2.5141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8586 0.1298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3252 0.7222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9792 0.6863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3777 1.3766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6682 0.3956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2016 -0.1968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3041 2.5789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2302 2.5789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2919 -1.6449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.3108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13 1 1 6 0 0 0
1 31 1 0 0 0 0
2 15 2 0 0 0 0
3 16 2 0 0 0 0
4 21 1 0 0 0 0
4 40 1 0 0 0 0
5 21 2 0 0 0 0
6 22 1 0 0 0 0
6 41 1 0 0 0 0
7 22 2 0 0 0 0
8 11 1 0 0 0 0
8 14 1 0 0 0 0
8 16 1 0 0 0 0
9 15 1 0 0 0 0
17 9 1 6 0 0 0
9 29 1 0 0 0 0
10 18 1 0 0 0 0
10 38 1 0 0 0 0
10 39 1 0 0 0 0
11 12 1 0 0 0 0
11 15 1 1 0 0 0
11 23 1 0 0 0 0
12 13 1 0 0 0 0
12 24 1 0 0 0 0
12 25 1 0 0 0 0
13 14 1 0 0 0 0
13 26 1 0 0 0 0
14 27 1 0 0 0 0
14 28 1 0 0 0 0
16 18 1 0 0 0 0
17 19 1 0 0 0 0
17 21 1 0 0 0 0
17 30 1 0 0 0 0
18 34 1 0 0 0 0
18 35 1 0 0 0 0
19 20 1 0 0 0 0
19 32 1 0 0 0 0
19 33 1 0 0 0 0
20 22 1 0 0 0 0
20 36 1 0 0 0 0
20 37 1 0 0 0 0
M END
$$$$