B26QCD
-OEChem-04042106023D
49 51 0 0 0 0 0 0 0999 V2000
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-2.7909 1.6591 0.5265 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.3507 3.7921 0.5659 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2147 -0.7729 0.8472 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.2780 -2.3713 -0.6946 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.3615 2.8817 0.9447 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3310 -1.2830 0.9822 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9276 -0.1541 0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3721 -2.3906 1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2573 0.3334 0.7143 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6868 -1.8289 1.7213 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9425 -1.8325 0.3452 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4965 -0.2823 1.3535 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3257 0.3460 0.2653 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2135 -0.4351 -0.4746 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2062 1.7095 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1086 -1.0902 -0.2973 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9818 0.1472 -1.4827 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9744 2.2920 -1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0774 -0.1068 -0.4153 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8623 1.5108 -1.7509 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2990 -0.4609 -0.9772 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8475 1.2602 0.0259 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4783 -2.6781 -1.2361 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5114 -1.7690 -1.3980 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9158 2.3072 -0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0735 -0.8615 1.9638 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2332 0.6928 0.0822 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0850 -0.5003 -0.8952 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9868 -3.1486 1.8683 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5621 -2.8989 0.2214 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6280 1.0974 0.0254 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0792 0.8204 1.6822 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5336 -1.4515 2.7410 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4043 -2.6563 1.7836 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3398 -2.6398 0.9737 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7184 -2.2314 -0.6526 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0874 -1.1127 1.7654 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3689 0.4145 2.1935 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3148 -1.4991 -0.2775 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5330 2.3364 0.5753 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6728 -0.4610 -2.0590 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8844 3.3545 -1.2173 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4610 1.9645 -2.5353 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1088 0.2518 -1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5934 -3.7110 -1.5478 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4557 -2.0683 -1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2496 2.5219 -1.1448 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6147 4.1626 1.4251 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
7 9 1 0 0 0 0
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
$$$$