REMARK  Name = BDB010053
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.832  -1.766  -0.293  0.00  0.00    +0.144 A 
ATOM      2  N   LIG    1        0.870  -0.847  -0.685  0.00  0.00    -0.315 N 
ATOM      3  C   LIG    1       -0.357  -1.478  -0.670  0.00  0.00    +0.129 A 
ATOM      4  C   LIG    1       -0.056  -2.782  -0.314  0.00  0.00    +0.184 A 
ATOM      5  N   LIG    1       -0.959  -3.765  -0.205  0.00  0.00    -0.200 NA
ATOM      6  C   LIG    1       -2.200  -3.355  -0.488  0.00  0.00    +0.242 A 
ATOM      7  N   LIG    1       -2.588  -2.105  -0.837  0.00  0.00    -0.205 NA
ATOM      8  C   LIG    1       -1.678  -1.116  -0.924  0.00  0.00    +0.149 A 
ATOM      9  N   LIG    1        1.279  -2.946  -0.091  0.00  0.00    -0.208 NA
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.668   0.776   1.712  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        5.143  -0.260   0.762  0.00  0.00    -0.050 A 
ATOM     12  C   LIG    1        3.767  -0.514   0.681  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        3.268  -1.502  -0.180  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1        4.167  -2.271  -0.926  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        5.540  -2.035  -0.841  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        6.025  -1.033  -0.001  0.00  0.00    +0.003 A 
ENDBRANCH   1  13
BRANCH   6  17
ATOM     17  C   LIG    1       -3.276  -4.405  -0.393  0.00  0.00    +0.375 C 
ATOM     18  O   LIG    1       -3.130  -5.586  -0.122  0.00  0.00    -0.242 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -4.519  -3.927  -0.641  0.00  0.00    -0.475 OA
ATOM     20  H   LIG    1       -5.092  -4.714  -0.545  0.00  0.00    +0.296 HD
ENDBRANCH  17  19
ENDBRANCH   6  17
BRANCH   8  21
ATOM     21  N   LIG    1       -2.072   0.170  -1.270  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1       -1.437   0.890  -0.963  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.469   0.541  -1.043  0.00  0.00    +0.072 C 
ATOM     24  C   LIG    1       -3.860   1.573  -2.103  0.00  0.00    +0.028 C 
BRANCH  23  25
ATOM     25  C   LIG    1       -3.590   1.148   0.335  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1       -4.898   1.085   1.085  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -3.725   0.273   1.557  0.00  0.00    +0.005 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH   8  21
BRANCH   2  28
ATOM     28  C   LIG    1        1.139   0.497  -1.179  0.00  0.00    +0.159 C 
BRANCH  28  29
ATOM     29  C   LIG    1        0.815   1.613  -0.205  0.00  0.00    -0.026 A 
ATOM     30  C   LIG    1        0.459   1.409   1.139  0.00  0.00    +0.026 A 
ATOM     31  C   LIG    1        0.153   2.490   1.978  0.00  0.00    +0.060 A 
ATOM     32 CL   LIG    1       -0.289   2.136   3.610  0.00  0.00    -0.082 Cl
ATOM     33  C   LIG    1        0.208   3.795   1.484  0.00  0.00    +0.059 A 
ATOM     34 CL   LIG    1       -0.160   5.174   2.455  0.00  0.00    -0.082 Cl
ATOM     35  C   LIG    1        0.570   4.013   0.154  0.00  0.00    +0.022 A 
ATOM     36  C   LIG    1        0.872   2.934  -0.681  0.00  0.00    +0.007 A 
ENDBRANCH  28  29
ENDBRANCH   2  28
TORSDOF 8