BI1QE8
-OEChem-04022115143D
51 55 0 0 0 0 0 0 0999 V2000
3.3807 -1.9941 0.9080 S 0 0 0 0 0 0 0 0 0 0 0 0
5.4061 0.3833 -0.8363 S 0 0 0 0 0 0 0 0 0 0 0 0
0.7709 2.9973 -0.7285 S 0 0 0 0 0 0 0 0 0 0 0 0
-2.1983 -2.2977 -1.0511 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4076 -2.6509 2.2016 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2484 -2.4623 -0.1556 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5587 -1.8808 0.3798 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5913 -0.3165 1.1579 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2508 1.1674 1.0246 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0975 1.4711 -0.5416 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9194 0.5094 0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7127 -2.0822 0.3221 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7527 1.7920 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6631 -2.2369 1.2278 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4481 -2.0001 -1.0449 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6961 2.1125 -1.6642 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4536 2.6792 0.4428 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0146 1.6653 1.2995 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9159 -2.2271 -0.6007 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6511 -2.3093 0.7663 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1338 -2.0726 -1.5063 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9528 1.6169 -1.9339 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7123 3.2833 0.5928 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8673 1.2429 2.3424 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5367 2.8469 1.6329 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1216 1.8400 2.4975 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9046 -1.1125 -1.1716 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0825 -0.9127 -0.4518 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4274 -0.1133 -2.0197 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7834 0.2865 -0.5803 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1284 1.0858 -2.1484 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3063 1.2857 -1.4287 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7692 -1.5965 1.0788 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9205 0.1217 1.8027 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8451 -2.2944 2.2971 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2508 -1.8791 -1.7667 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2542 2.8987 -2.2629 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4638 -2.4278 1.4779 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0555 -2.0287 -2.5752 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6263 1.9200 -2.7230 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0437 4.0687 -0.0795 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5532 0.4571 3.0234 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5158 3.2998 1.7652 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7771 1.5122 3.2996 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5282 -0.2419 -2.6118 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7034 0.5120 -0.0524 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7589 1.8629 -2.8112 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8507 2.2202 -1.5291 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6495 -0.7513 1.7652 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6102 -1.4594 0.3906 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0004 -2.4736 1.6923 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 2 0 0 0 0
1 6 2 0 0 0 0
1 8 1 0 0 0 0
1 12 1 0 0 0 0
2 11 1 0 0 0 0
2 22 1 0 0 0 0
3 13 1 0 0 0 0
3 17 1 0 0 0 0
4 19 1 0 0 0 0
4 27 1 0 0 0 0
7 28 1 0 0 0 0
7 33 1 0 0 0 0
8 11 1 0 0 0 0
8 34 1 0 0 0 0
9 13 2 0 0 0 0
9 18 1 0 0 0 0
10 11 2 0 0 0 0
10 13 1 0 0 0 0
10 16 1 0 0 0 0
12 14 2 0 0 0 0
12 15 1 0 0 0 0
14 20 1 0 0 0 0
14 35 1 0 0 0 0
15 21 2 0 0 0 0
15 36 1 0 0 0 0
16 22 2 0 0 0 0
16 37 1 0 0 0 0
17 18 1 0 0 0 0
17 23 2 0 0 0 0
18 24 2 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
20 38 1 0 0 0 0
21 39 1 0 0 0 0
22 40 1 0 0 0 0
23 25 1 0 0 0 0
23 41 1 0 0 0 0
24 26 1 0 0 0 0
24 42 1 0 0 0 0
25 26 2 0 0 0 0
25 43 1 0 0 0 0
26 44 1 0 0 0 0
27 28 1 0 0 0 0
27 29 2 0 0 0 0
28 30 2 0 0 0 0
29 31 1 0 0 0 0
29 45 1 0 0 0 0
30 32 1 0 0 0 0
30 46 1 0 0 0 0
31 32 2 0 0 0 0
31 47 1 0 0 0 0
32 48 1 0 0 0 0
33 49 1 0 0 0 0
33 50 1 0 0 0 0
33 51 1 0 0 0 0
M END
$$$$