REMARK  Name = BDB061030
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.761  -0.308  -3.244  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -0.631   0.155  -2.363  0.00  0.00    -0.024 A 
ATOM      3  C   LIG    1       -0.106  -0.569  -1.263  0.00  0.00    +0.113 A 
ATOM      4  C   LIG    1        0.994  -0.044  -0.507  0.00  0.00    -0.003 A 
ATOM      5  C   LIG    1        1.573  -0.764   0.690  0.00  0.00    +0.048 C 
ATOM      6  C   LIG    1        1.583   1.187  -0.909  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1        1.037   1.894  -1.980  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1       -0.053   1.391  -2.688  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   6   9
ATOM      9  N   LIG    1        2.744   1.656  -0.254  0.00  0.00    -0.284 N 
ATOM     10  H   LIG    1        3.202   1.039   0.411  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1        3.370   2.889  -0.369  0.00  0.00    +0.239 C 
ATOM     12  O   LIG    1        2.919   3.879  -0.941  0.00  0.00    -0.273 OA
BRANCH  11  13
ATOM     13  C   LIG    1        4.647   2.983   0.474  0.00  0.00    +0.243 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.336   1.692   0.581  0.00  0.00    -0.219 N 
ATOM     15  C   LIG    1        6.364   1.396  -0.317  0.00  0.00    +0.288 A 
ATOM     16  O   LIG    1        6.723   2.169  -1.204  0.00  0.00    -0.265 OA
ATOM     17  C   LIG    1        7.022   0.068  -0.142  0.00  0.00    +0.126 A 
ATOM     18 CL   LIG    1        8.331  -0.306  -1.209  0.00  0.00    -0.076 Cl
ATOM     19  C   LIG    1        6.600  -0.768   0.808  0.00  0.00    +0.084 A 
ATOM     20 CL   LIG    1        7.248  -2.320   1.144  0.00  0.00    -0.080 Cl
ATOM     21  C   LIG    1        5.474  -0.323   1.637  0.00  0.00    +0.154 A 
ATOM     22  N   LIG    1        4.866   0.816   1.539  0.00  0.00    -0.175 NA
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   6   9
BRANCH   3  23
ATOM     23  S   LIG    1       -0.772  -2.198  -0.840  0.00  0.00    +0.059 S 
ATOM     24  O   LIG    1        0.345  -3.072  -0.553  0.00  0.00    -0.153 OA
ATOM     25  O   LIG    1       -1.795  -2.610  -1.776  0.00  0.00    -0.153 OA
BRANCH  23  26
ATOM     26  N   LIG    1       -1.546  -1.908   0.612  0.00  0.00    -0.190 NA
ATOM     27  H   LIG    1       -1.168  -2.354   1.446  0.00  0.00    +0.148 HD
BRANCH  26  28
ATOM     28  C   LIG    1       -2.768  -1.104   0.677  0.00  0.00    +0.112 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.960  -1.990   1.055  0.00  0.00    +0.072 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -5.232  -1.186   1.076  0.00  0.00    +0.043 A 
ATOM     31  N   LIG    1       -5.365  -0.278   2.076  0.00  0.00    -0.260 NA
ATOM     32  C   LIG    1       -6.493   0.471   2.094  0.00  0.00    +0.111 A 
ATOM     33  C   LIG    1       -7.502   0.365   1.151  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1       -7.351  -0.571   0.132  0.00  0.00    +0.003 A 
ATOM     35  C   LIG    1       -6.200  -1.359   0.089  0.00  0.00    +0.023 A 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  23  26
ENDBRANCH   3  23
TORSDOF 8