BE8I5O
-OEChem-04022101332D
58 59 0 1 0 0 0 0 0999 V2000
4.9338 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
10.2278 9.7411 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
10.8677 8.4799 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.9666 9.1012 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
1.7320 7.5353 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
1.7320 3.5353 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 4.5353 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.0622 5.0353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5263 5.0353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9282 6.5353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.6602 7.5353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.6065 6.2306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.1901 7.0353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.6602 3.5353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3301 5.0353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7942 6.0353 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.9282 7.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7942 8.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6602 6.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7942 5.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0622 6.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 6.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6065 7.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3301 6.0353 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.6602 4.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4641 6.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9171 8.7905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 6.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5263 3.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7942 3.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7320 6.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 5.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7320 4.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 6.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 5.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2573 5.7253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7162 8.1179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3176 7.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1928 8.5102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3957 8.5102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1836 5.1430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5822 4.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5947 7.0102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7976 7.0102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7932 5.7253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8626 7.0102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0656 7.0102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7932 4.7253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8671 4.7253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2163 2.4984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0632 2.7253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8363 3.5722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4842 3.5722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2573 2.7253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1042 2.4984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1350 4.7253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3291 6.3453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9338 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 58 1 0 0 0 0
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5 31 1 0 0 0 0
6 33 1 0 0 0 0
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24 15 1 6 0 0 0
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16 20 1 0 0 0 0
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20 25 1 0 0 0 0
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28 31 1 0 0 0 0
28 32 2 0 0 0 0
29 50 1 0 0 0 0
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30 53 1 0 0 0 0
30 54 1 0 0 0 0
30 55 1 0 0 0 0
31 34 2 0 0 0 0
32 33 1 0 0 0 0
32 56 1 0 0 0 0
33 35 2 0 0 0 0
34 35 1 0 0 0 0
34 57 1 0 0 0 0
M END
$$$$