BL8G4T
-OEChem-04012114252D
50 54 0 1 0 0 0 0 0999 V2000
2.6691 -0.2349 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -2.8282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9128 -1.3282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.6448 -0.3281 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.5911 -1.6329 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.1747 -0.8281 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.8802 1.1333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.5446 2.6219 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.7788 -1.8282 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.9128 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7788 0.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6448 -1.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7788 -2.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5911 -0.0234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -1.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -1.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9017 0.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -1.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2339 1.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 0.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -1.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1909 2.0838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 0.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5231 2.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1694 2.2901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4782 1.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 1.3743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2419 -2.1382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7008 0.2545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3022 -0.4358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1774 0.6468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3803 0.6468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1588 -2.8282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7788 -3.4482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3988 -2.8282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7177 -0.0181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -2.4482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6272 1.5436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 0.7919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9118 -1.6382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7157 3.4175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2973 1.6834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.7761 2.4179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0416 2.8967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9389 1.5812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2478 1.9407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3834 0.4435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 25 1 0 0 0 0
1 30 1 0 0 0 0
2 15 2 0 0 0 0
3 9 1 0 0 0 0
3 10 1 0 0 0 0
3 15 1 0 0 0 0
4 11 1 0 0 0 0
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4 14 1 0 0 0 0
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7 17 2 0 0 0 0
7 24 1 0 0 0 0
8 20 2 0 0 0 0
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10 11 1 0 0 0 0
10 32 1 0 0 0 0
10 33 1 0 0 0 0
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16 18 2 0 0 0 0
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22 43 1 0 0 0 0
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24 26 2 0 0 0 0
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27 45 1 0 0 0 0
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27 47 1 0 0 0 0
28 29 1 0 0 0 0
28 48 1 0 0 0 0
29 30 2 0 0 0 0
29 49 1 0 0 0 0
30 50 1 0 0 0 0
M END
$$$$