BU4V3N
-OEChem-04012115352D
47 50 0 0 0 0 0 0 0999 V2000
9.2619 -4.3417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 1.7817 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 2.5865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 4.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 0.8544 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.2619 -0.8776 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 2.5865 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 -0.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2619 0.8544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 -0.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7619 -0.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 1.7204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7619 -1.7436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 1.7204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 2.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2619 -2.6097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7619 -1.7436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 3.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7619 -3.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2619 -2.6097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7619 -3.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2869 0.3869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2869 -0.4101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8445 1.0665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1542 1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6793 -1.0897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3695 -1.4882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2368 -0.4101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2368 0.3869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1793 1.5084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8695 1.1099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8445 2.7985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1542 3.1971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6419 -2.6097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0719 -1.2067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8819 -2.6097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0719 -4.0126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 4.2065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.9665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 3.3965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 1.7765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 21 1 0 0 0 0
2 7 1 0 0 0 0
2 20 1 0 0 0 0
3 12 2 0 0 0 0
4 18 2 0 0 0 0
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6 10 1 0 0 0 0
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6 13 1 0 0 0 0
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26 27 2 0 0 0 0
26 46 1 0 0 0 0
27 47 1 0 0 0 0
M END
$$$$