B89CQA
-OEChem-04042107473D
42 44 0 0 0 0 0 0 0999 V2000
3.2532 -3.9059 0.2710 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5950 3.4969 0.0503 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8708 2.6608 1.2728 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2368 -2.3209 -0.3896 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2097 0.2292 0.3193 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1258 -2.1876 -0.0871 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5894 -0.7937 0.2503 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1152 -1.2087 -0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0457 -0.5729 0.5228 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5790 0.0465 0.0855 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4981 0.8300 0.8067 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0388 -3.1723 -0.0646 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9058 -1.5950 0.5194 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4128 1.1684 0.2149 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8511 -3.5784 -0.8290 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5082 -1.2869 -0.4664 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4646 -2.9674 0.2471 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8973 1.5481 -0.4451 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7836 1.0643 0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3313 -0.1647 -0.3344 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8657 2.8738 -0.6809 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8700 2.4737 0.5755 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2817 3.5351 -1.9644 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3972 3.8274 0.3861 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7307 1.3634 1.3748 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3775 0.7948 1.4642 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7778 -4.2029 -0.2761 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9620 -1.4485 0.7205 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3993 -3.4406 -1.7687 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5300 -3.9658 -0.0609 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1236 -4.3672 -1.0362 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9948 -2.2233 -0.7259 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2878 0.9228 -1.2483 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4516 1.9142 0.1141 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4019 -0.2580 -0.4934 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4472 4.1030 -2.3880 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5999 2.8007 -2.7116 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1187 4.2187 -1.7895 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3245 3.3884 1.3835 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1006 4.6634 0.4729 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4172 4.2358 0.1185 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2238 4.3712 0.2959 H 0 0 0 0 0 0 0 0 0 0 0 0
1 17 2 0 0 0 0
2 22 1 0 0 0 0
2 42 1 0 0 0 0
3 22 2 0 0 0 0
4 6 1 0 0 0 0
4 8 1 0 0 0 0
4 15 1 0 0 0 0
5 7 2 0 0 0 0
5 10 1 0 0 0 0
6 7 1 0 0 0 0
6 12 2 0 0 0 0
7 9 1 0 0 0 0
8 10 1 0 0 0 0
8 16 2 0 0 0 0
9 11 1 0 0 0 0
9 13 2 0 0 0 0
10 14 2 0 0 0 0
11 18 1 0 0 0 0
11 25 1 0 0 0 0
11 26 1 0 0 0 0
12 17 1 0 0 0 0
12 27 1 0 0 0 0
13 17 1 0 0 0 0
13 28 1 0 0 0 0
14 19 1 0 0 0 0
14 22 1 0 0 0 0
15 29 1 0 0 0 0
15 30 1 0 0 0 0
15 31 1 0 0 0 0
16 20 1 0 0 0 0
16 32 1 0 0 0 0
18 21 2 0 0 0 0
18 33 1 0 0 0 0
19 20 2 0 0 0 0
19 34 1 0 0 0 0
20 35 1 0 0 0 0
21 23 1 0 0 0 0
21 24 1 0 0 0 0
23 36 1 0 0 0 0
23 37 1 0 0 0 0
23 38 1 0 0 0 0
24 39 1 0 0 0 0
24 40 1 0 0 0 0
24 41 1 0 0 0 0
M END
$$$$