BJO86C
-OEChem-04022103073D
29 32 0 0 0 0 0 0 0999 V2000
0.7211 -2.3250 -0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3918 2.5151 -0.0004 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5595 -2.1589 0.0009 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3138 -3.5001 -0.0011 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6730 3.6644 0.0004 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8028 0.3356 0.0016 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1192 -0.0945 0.0005 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1543 2.5726 0.0003 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4935 -2.3621 0.0028 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5684 0.1151 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8809 0.0673 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3731 -1.1090 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6814 1.2845 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1332 1.3364 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4564 -1.1466 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8310 -0.9870 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6774 -2.2755 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0056 2.4558 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6163 1.4696 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1303 1.1913 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9441 -1.2649 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4281 0.2169 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7440 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7198 2.1029 -0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5038 -1.9238 0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6033 -4.1649 -0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9793 4.3468 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0128 1.2855 0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3458 -1.0407 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
1 15 1 0 0 0 0
1 17 1 0 0 0 0
2 14 1 0 0 0 0
2 18 1 0 0 0 0
3 16 1 0 0 0 0
3 25 1 0 0 0 0
4 17 1 0 0 0 0
4 26 1 0 0 0 0
5 18 1 0 0 0 0
5 27 1 0 0 0 0
6 22 1 0 0 0 0
6 28 1 0 0 0 0
7 23 1 0 0 0 0
7 29 1 0 0 0 0
8 19 2 0 0 0 0
9 21 2 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
10 14 2 0 0 0 0
11 13 1 0 0 0 0
11 15 2 0 0 0 0
12 16 1 0 0 0 0
12 17 2 0 0 0 0
13 18 2 0 0 0 0
13 20 1 0 0 0 0
14 19 1 0 0 0 0
15 21 1 0 0 0 0
16 22 2 0 0 0 0
19 22 1 0 0 0 0
20 23 2 0 0 0 0
20 24 1 0 0 0 0
21 23 1 0 0 0 0
M END
$$$$