BPU19E
-OEChem-04022102202D
57 60 0 1 0 0 0 0 0999 V2000
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10.4263 -0.5520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6663 -1.5173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5381 0.9585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9343 1.4827 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.9343 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8003 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0682 2.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8003 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6663 1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5323 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2022 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3324 -0.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5323 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6663 -0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2022 1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9343 -0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4263 1.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3324 1.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3324 -0.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8290 -0.9061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3083 3.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3083 0.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9343 -1.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4022 2.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4022 1.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0682 -2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0682 -3.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2022 -1.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9343 0.6327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5449 2.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1463 3.0653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4668 3.4576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6697 3.4576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6663 2.1027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7222 0.0653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3237 -0.6250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4191 2.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8681 1.3156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3300 -0.6620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9524 -0.0444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3347 0.5780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2909 -1.2140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1369 -1.4442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3671 -0.5982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3154 3.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3154 0.3280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4712 -1.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8665 2.8156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2033 -1.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4482 -3.0173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0682 -3.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6882 -3.0173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5122 -0.9804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6653 -1.2073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8922 -2.0543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.2664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0 0 0 0
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2 13 1 0 0 0 0
2 14 1 0 0 0 0
3 15 1 0 0 0 0
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4 57 1 0 0 0 0
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5 30 1 6 0 0 0
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9 17 1 0 0 0 0
10 11 2 0 0 0 0
10 35 1 0 0 0 0
11 14 1 0 0 0 0
11 18 1 0 0 0 0
12 16 2 0 0 0 0
12 22 1 0 0 0 0
13 19 1 0 0 0 0
13 20 1 0 0 0 0
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14 15 2 0 0 0 0
16 23 1 0 0 0 0
17 24 1 0 0 0 0
17 36 1 0 0 0 0
17 37 1 0 0 0 0
18 19 2 0 0 0 0
18 38 1 0 0 0 0
19 39 1 0 0 0 0
20 40 1 0 0 0 0
20 41 1 0 0 0 0
20 42 1 0 0 0 0
21 43 1 0 0 0 0
21 44 1 0 0 0 0
21 45 1 0 0 0 0
22 25 2 0 0 0 0
22 46 1 0 0 0 0
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24 27 2 0 0 0 0
24 48 1 0 0 0 0
25 26 1 0 0 0 0
25 49 1 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
28 51 1 0 0 0 0
28 52 1 0 0 0 0
28 53 1 0 0 0 0
29 54 1 0 0 0 0
29 55 1 0 0 0 0
29 56 1 0 0 0 0
M END
$$$$