BAFV53
-OEChem-04022112053D
42 45 0 0 0 0 0 0 0999 V2000
4.4757 -2.0286 -2.2071 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0046 -1.3416 -0.1075 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1702 0.3563 0.4503 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.1432 -0.5531 -0.1500 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.2901 -2.0912 -1.2682 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0036 -1.8650 1.0616 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6199 -2.3150 2.3535 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8654 -2.4051 2.1594 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0474 -0.3660 0.7543 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0271 0.4930 0.7347 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8414 1.6755 0.2328 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5397 1.7889 0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5067 -0.1941 0.3698 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4362 0.1370 1.0061 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6527 2.7658 -0.1005 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1428 3.0514 0.2387 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7695 -0.9444 -0.9333 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0324 4.0080 -0.2612 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3436 4.1510 -0.0948 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2637 -0.0766 -1.4249 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7747 -1.7648 -0.1037 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1934 -1.4383 -1.0196 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9751 -1.0430 -2.0962 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1579 -2.5015 0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1866 -3.2384 2.3459 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9641 -1.5895 3.0802 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4582 -1.7440 2.7791 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2974 -3.3890 2.0206 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6800 -0.8357 1.2356 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2255 0.6249 0.4829 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5563 -0.5274 1.8650 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0556 1.0216 1.1952 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7239 2.6703 -0.2393 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2139 3.1823 0.3627 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1044 -1.8102 -1.0198 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5876 -0.2801 -1.7860 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6339 4.8752 -0.5218 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8033 5.1270 -0.2259 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8538 0.8739 -1.7360 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8259 -2.3602 0.7974 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2773 -1.0366 -3.1332 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3999 -2.3554 -2.2432 H 0 0 0 0 0 0 0 0 0 0 0 0
1 22 1 0 0 0 0
1 42 1 0 0 0 0
2 22 2 0 0 0 0
3 9 1 0 0 0 0
3 11 1 0 0 0 0
3 13 1 0 0 0 0
4 14 1 0 0 0 0
4 20 1 0 0 0 0
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5 21 2 0 0 0 0
5 23 1 0 0 0 0
6 7 1 0 0 0 0
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6 9 1 0 0 0 0
6 24 1 0 0 0 0
7 8 1 0 0 0 0
7 25 1 0 0 0 0
7 26 1 0 0 0 0
8 27 1 0 0 0 0
8 28 1 0 0 0 0
9 10 2 0 0 0 0
10 12 1 0 0 0 0
10 14 1 0 0 0 0
11 12 1 0 0 0 0
11 15 2 0 0 0 0
12 16 2 0 0 0 0
13 17 1 0 0 0 0
13 29 1 0 0 0 0
13 30 1 0 0 0 0
14 31 1 0 0 0 0
14 32 1 0 0 0 0
15 18 1 0 0 0 0
15 33 1 0 0 0 0
16 19 1 0 0 0 0
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17 22 1 0 0 0 0
17 35 1 0 0 0 0
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18 19 2 0 0 0 0
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20 23 2 0 0 0 0
20 39 1 0 0 0 0
21 40 1 0 0 0 0
23 41 1 0 0 0 0
M END
$$$$