D0U1IJ
-OEChem-10101305022D
53 58 0 0 0 0 0 0 0999 V2000
12.5244 -1.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.0236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9942 -1.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.9764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.5476 1.9963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6700 0.5030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6623 -0.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 -0.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8622 -0.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2241 -1.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7643 -1.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3943 -0.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7802 1.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.9764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5399 0.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2241 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8702 0.5377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 0.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4020 0.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2564 -1.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2487 -2.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.1263 -0.5237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.1109 -2.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.9884 -1.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.9807 -2.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2169 -1.6310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7666 -1.6447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7922 1.6644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2169 1.6782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3369 0.8539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6659 0.8565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 -0.7864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.9413 0.7955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.7094 -2.3228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.1311 0.0963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 2.3336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.0964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.1061 -3.1436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
16.5277 -0.7245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.1436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.7136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
16.5153 -2.3444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 2.3336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 8 1 0 0 0 0
1 14 1 0 0 0 0
2 9 1 0 0 0 0
2 15 1 0 0 0 0
3 10 1 0 0 0 0
3 11 1 0 0 0 0
4 17 2 0 0 0 0
5 18 2 0 0 0 0
6 9 2 0 0 0 0
6 12 1 0 0 0 0
6 17 1 0 0 0 0
7 8 2 0 0 0 0
7 16 1 0 0 0 0
7 18 1 0 0 0 0
8 13 1 0 0 0 0
9 19 1 0 0 0 0
10 12 2 0 0 0 0
10 21 1 0 0 0 0
11 13 2 0 0 0 0
11 20 1 0 0 0 0
12 36 1 0 0 0 0
13 37 1 0 0 0 0
14 23 2 0 0 0 0
14 24 1 0 0 0 0
15 22 2 0 0 0 0
15 25 1 0 0 0 0
16 20 2 0 0 0 0
16 38 1 0 0 0 0
17 22 1 0 0 0 0
18 23 1 0 0 0 0
19 21 2 0 0 0 0
19 39 1 0 0 0 0
20 40 1 0 0 0 0
21 41 1 0 0 0 0
22 42 1 0 0 0 0
23 43 1 0 0 0 0
24 26 2 0 0 0 0
24 27 1 0 0 0 0
25 28 2 0 0 0 0
25 29 1 0 0 0 0
26 30 1 0 0 0 0
26 44 1 0 0 0 0
27 31 2 0 0 0 0
27 45 1 0 0 0 0
28 32 1 0 0 0 0
28 46 1 0 0 0 0
29 33 2 0 0 0 0
29 47 1 0 0 0 0
30 34 2 0 0 0 0
30 48 1 0 0 0 0
31 34 1 0 0 0 0
31 49 1 0 0 0 0
32 35 2 0 0 0 0
32 50 1 0 0 0 0
33 35 1 0 0 0 0
33 51 1 0 0 0 0
34 52 1 0 0 0 0
35 53 1 0 0 0 0
M END
$$$$