B5ASQ1
-OEChem-04012117022D
56 59 0 0 0 0 0 0 0999 V2000
8.0622 5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5252 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9841 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5856 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5388 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1403 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5856 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9841 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1403 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5388 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5856 4.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9841 3.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1403 3.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5388 4.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9841 5.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5856 4.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5388 4.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1403 5.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9841 -0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5856 -1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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16 47 1 0 0 0 0
17 18 2 0 0 0 0
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18 21 1 0 0 0 0
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19 22 2 0 0 0 0
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20 21 2 0 0 0 0
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25 27 2 0 0 0 0
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26 28 2 0 0 0 0
26 54 1 0 0 0 0
27 28 1 0 0 0 0
27 55 1 0 0 0 0
28 56 1 0 0 0 0
M END
$$$$