B26QCD
-OEChem-04022109002D
49 51 0 0 0 0 0 0 0999 V2000
5.4641 -0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 0.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6592 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9841 0.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5856 0.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6636 -1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4607 -1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4607 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6636 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1403 -1.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5388 -0.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9316 -1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7287 -1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1928 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3957 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1233 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -1.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9292 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9292 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 1 0 0 0 0
1 17 1 0 0 0 0
2 23 2 0 0 0 0
3 6 1 0 0 0 0
3 49 1 0 0 0 0
4 10 1 0 0 0 0
4 11 1 0 0 0 0
4 13 1 0 0 0 0
5 17 1 0 0 0 0
5 24 2 0 0 0 0
6 26 2 0 0 0 0
7 8 1 0 0 0 0
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7 12 1 0 0 0 0
7 27 1 0 0 0 0
8 10 1 0 0 0 0
8 28 1 0 0 0 0
8 29 1 0 0 0 0
9 11 1 0 0 0 0
9 30 1 0 0 0 0
9 31 1 0 0 0 0
10 32 1 0 0 0 0
10 33 1 0 0 0 0
11 34 1 0 0 0 0
11 35 1 0 0 0 0
12 36 1 0 0 0 0
12 37 1 0 0 0 0
13 14 1 0 0 0 0
13 38 1 0 0 0 0
13 39 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
15 18 1 0 0 0 0
15 40 1 0 0 0 0
16 19 2 0 0 0 0
16 41 1 0 0 0 0
17 20 2 0 0 0 0
18 21 2 0 0 0 0
18 42 1 0 0 0 0
19 21 1 0 0 0 0
19 43 1 0 0 0 0
20 22 1 0 0 0 0
20 23 1 0 0 0 0
21 44 1 0 0 0 0
22 25 2 0 0 0 0
22 45 1 0 0 0 0
23 26 1 0 0 0 0
24 25 1 0 0 0 0
24 46 1 0 0 0 0
25 47 1 0 0 0 0
26 48 1 0 0 0 0
M END
$$$$