B8CQB3
-OEChem-04022106153D
41 44 0 1 0 0 0 0 0999 V2000
-1.5718 1.9641 1.6262 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5377 2.3805 -0.7053 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2735 2.7345 -2.0650 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3246 -1.0941 -1.8707 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4136 -1.6169 1.5865 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4019 -2.8474 0.2839 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3148 -2.7204 -0.9621 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5092 1.0794 0.9445 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.3920 1.0993 -0.2641 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7616 1.4918 0.2785 C 0 0 1 0 0 0 0 0 0 0 0 0
1.8556 1.5477 0.4255 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.1680 2.0752 1.8746 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2498 2.1648 -1.1197 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7345 0.3343 0.2769 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7815 0.4070 0.0577 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5935 0.1468 -0.8060 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7736 -0.5456 1.3587 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6841 -0.0896 0.9983 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7320 -0.1468 -1.2217 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4915 -0.9207 -0.8073 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5372 -1.1399 0.6594 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6714 -1.6130 1.3574 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5851 -1.1969 -1.5605 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5303 -1.8006 0.2745 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4875 -1.6935 -0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5311 0.0932 1.4227 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3743 0.1634 -0.8329 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2014 2.3262 -0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3627 2.1872 1.1584 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0345 1.8592 2.9277 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1285 3.1117 1.6768 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5598 0.8324 -1.6494 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1085 -0.4278 2.2097 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7194 0.3418 1.9959 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0400 0.2147 -1.9758 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6895 -2.2925 2.2053 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5356 -1.6199 -2.5603 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1569 -0.3922 -2.5228 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3065 -1.1144 2.4124 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2871 -3.3476 1.1102 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1396 -2.9743 -1.8845 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 1 0 0 0 0
1 12 1 0 0 0 0
2 11 1 0 0 0 0
2 13 1 0 0 0 0
3 13 2 0 0 0 0
4 20 1 0 0 0 0
4 38 1 0 0 0 0
5 21 1 0 0 0 0
5 39 1 0 0 0 0
6 24 1 0 0 0 0
6 40 1 0 0 0 0
7 25 1 0 0 0 0
7 41 1 0 0 0 0
8 9 1 0 0 0 0
8 11 1 0 0 0 0
8 12 1 0 0 0 0
8 26 1 0 0 0 0
9 10 1 0 0 0 0
9 13 1 0 0 0 0
9 27 1 0 0 0 0
10 14 1 0 0 0 0
10 28 1 0 0 0 0
11 15 1 0 0 0 0
11 29 1 0 0 0 0
12 30 1 0 0 0 0
12 31 1 0 0 0 0
14 16 2 0 0 0 0
14 17 1 0 0 0 0
15 18 2 0 0 0 0
15 19 1 0 0 0 0
16 20 1 0 0 0 0
16 32 1 0 0 0 0
17 22 2 0 0 0 0
17 33 1 0 0 0 0
18 21 1 0 0 0 0
18 34 1 0 0 0 0
19 23 2 0 0 0 0
19 35 1 0 0 0 0
20 24 2 0 0 0 0
21 25 2 0 0 0 0
22 24 1 0 0 0 0
22 36 1 0 0 0 0
23 25 1 0 0 0 0
23 37 1 0 0 0 0
M END
$$$$