D03QNE
-OEChem-10101305032D
55 57 0 1 0 0 0 0 0999 V2000
11.5263 4.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
8.0622 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2520 1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8535 0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9316 -0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7287 -0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4082 -0.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8067 0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7287 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9316 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2742 0.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6728 1.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8501 3.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4516 2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3913 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1972 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -1.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -2.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2460 -4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4860 -4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 26 1 0 0 0 0
2 11 1 0 0 0 0
2 42 1 0 0 0 0
3 15 1 0 0 0 0
3 25 1 0 0 0 0
4 18 1 0 0 0 0
4 27 1 0 0 0 0
5 9 1 0 0 0 0
5 10 1 0 0 0 0
5 12 1 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
6 11 1 0 0 0 0
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7 10 1 0 0 0 0
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7 32 1 0 0 0 0
8 9 1 0 0 0 0
8 29 1 0 0 0 0
8 30 1 0 0 0 0
9 35 1 0 0 0 0
9 36 1 0 0 0 0
10 33 1 0 0 0 0
10 34 1 0 0 0 0
11 13 1 0 0 0 0
11 37 1 0 0 0 0
12 14 1 0 0 0 0
12 38 1 0 0 0 0
12 39 1 0 0 0 0
13 15 2 0 0 0 0
13 16 1 0 0 0 0
14 17 1 0 0 0 0
14 40 1 0 0 0 0
14 41 1 0 0 0 0
15 18 1 0 0 0 0
16 19 2 0 0 0 0
16 43 1 0 0 0 0
17 21 2 0 0 0 0
17 22 1 0 0 0 0
18 20 2 0 0 0 0
19 20 1 0 0 0 0
19 44 1 0 0 0 0
20 45 1 0 0 0 0
21 23 1 0 0 0 0
21 46 1 0 0 0 0
22 24 2 0 0 0 0
22 47 1 0 0 0 0
23 26 2 0 0 0 0
23 48 1 0 0 0 0
24 26 1 0 0 0 0
24 49 1 0 0 0 0
25 50 1 0 0 0 0
25 51 1 0 0 0 0
25 52 1 0 0 0 0
27 53 1 0 0 0 0
27 54 1 0 0 0 0
27 55 1 0 0 0 0
M END
$$$$