B2I5KY
-OEChem-04022100302D
58 60 0 1 0 0 0 0 0999 V2000
2.8660 -4.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.0000 0.0000 C 0 0 1 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
8.9282 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.0000 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
2.0000 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.0000 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
4.2690 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5856 0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9841 -0.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4607 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6636 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9966 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1996 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6636 -0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4607 -0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5388 0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1403 1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1403 -0.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5388 0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 1.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 0.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 0.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 -0.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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27 28 1 0 0 0 0
27 58 1 0 0 0 0
M END
$$$$