D0A5GJ
-OEChem-10191522102D
82 86 0 1 0 0 0 0 0999 V2000
3.6613 0.0882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1254 -0.9118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9915 -1.4118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9620 -3.9063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5274 1.5882 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3934 -0.9118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1254 -2.9118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.9402 -4.1142 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5274 3.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3934 3.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6613 3.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6613 2.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3934 2.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7183 4.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3934 -3.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3364 4.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5274 -4.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2594 -4.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3934 -2.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0274 5.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3934 0.0882 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.2594 -5.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5274 -5.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5274 0.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3934 -5.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0274 5.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2594 -2.4118 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.2594 0.5882 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.7029 3.9438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2594 -1.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3424 5.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1254 0.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2594 1.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3219 5.7031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9915 0.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9915 -2.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8575 -2.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7710 -2.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4402 -3.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4493 3.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0508 2.9806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0040 2.9806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6054 3.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6054 1.5056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0040 2.1959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0508 2.1959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4493 1.5056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9303 -3.6018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9260 3.9844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3153 -3.8292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9168 -4.5194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8700 -4.5194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4715 -3.8292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1813 -2.3292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7828 -3.0194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9303 -0.2218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9168 -5.3041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3153 -5.9944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4715 -5.9944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8700 -5.3041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9949 -6.3867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7919 -6.3867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3918 5.6286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2594 -3.0318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7964 0.8982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5182 3.3519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8564 -1.2218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5408 6.4992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7269 -0.3867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5240 -0.3867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3940 4.5812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8794 1.5882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2594 2.2082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6394 1.5882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1254 -3.5318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9088 6.1654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3015 0.0513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5284 0.8982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6815 1.1252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8999 -1.8986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0568 -3.1834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 24 2 0 0 0 0
2 30 2 0 0 0 0
3 37 2 0 0 0 0
4 8 1 0 0 0 0
4 38 1 0 0 0 0
5 12 1 0 0 0 0
5 13 1 0 0 0 0
5 24 1 0 0 0 0
21 6 1 6 0 0 0
6 30 1 0 0 0 0
6 68 1 0 0 0 0
27 7 1 1 0 0 0
7 37 1 0 0 0 0
7 76 1 0 0 0 0
8 40 2 0 0 0 0
9 10 1 0 0 0 0
9 11 1 0 0 0 0
9 14 1 0 0 0 0
9 16 1 0 0 0 0
10 13 1 0 0 0 0
10 43 1 0 0 0 0
10 44 1 0 0 0 0
11 12 1 0 0 0 0
11 41 1 0 0 0 0
11 42 1 0 0 0 0
12 47 1 0 0 0 0
12 48 1 0 0 0 0
13 45 1 0 0 0 0
13 46 1 0 0 0 0
14 20 1 0 0 0 0
14 29 2 0 0 0 0
15 17 1 0 0 0 0
15 18 1 0 0 0 0
15 19 1 0 0 0 0
15 49 1 0 0 0 0
16 26 2 0 0 0 0
16 50 1 0 0 0 0
17 23 1 0 0 0 0
17 51 1 0 0 0 0
17 52 1 0 0 0 0
18 22 1 0 0 0 0
18 53 1 0 0 0 0
18 54 1 0 0 0 0
19 27 1 0 0 0 0
19 55 1 0 0 0 0
19 56 1 0 0 0 0
20 26 1 0 0 0 0
20 31 2 0 0 0 0
21 24 1 0 0 0 0
21 28 1 0 0 0 0
21 57 1 0 0 0 0
22 25 1 0 0 0 0
22 60 1 0 0 0 0
22 61 1 0 0 0 0
23 25 1 0 0 0 0
23 58 1 0 0 0 0
23 59 1 0 0 0 0
25 62 1 0 0 0 0
25 63 1 0 0 0 0
26 64 1 0 0 0 0
27 30 1 0 0 0 0
27 65 1 0 0 0 0
28 32 1 0 0 0 0
28 34 1 6 0 0 0
28 66 1 0 0 0 0
29 33 1 0 0 0 0
29 67 1 0 0 0 0
31 35 1 0 0 0 0
31 69 1 0 0 0 0
32 36 1 0 0 0 0
32 70 1 0 0 0 0
32 71 1 0 0 0 0
33 35 2 0 0 0 0
33 72 1 0 0 0 0
34 73 1 0 0 0 0
34 74 1 0 0 0 0
34 75 1 0 0 0 0
35 77 1 0 0 0 0
36 78 1 0 0 0 0
36 79 1 0 0 0 0
36 80 1 0 0 0 0
37 38 1 0 0 0 0
38 39 2 0 0 0 0
39 40 1 0 0 0 0
39 81 1 0 0 0 0
40 82 1 0 0 0 0
M END
$$$$