REMARK  Name = BDB046882
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.999  -0.420   0.405  0.00  0.00    -0.220 N 
ATOM      2  N   LIG    1        3.055   0.529   0.631  0.00  0.00    -0.173 NA
ATOM      3  C   LIG    1        1.890  -0.109   0.530  0.00  0.00    +0.138 A 
ATOM      4  C   LIG    1        2.033  -1.480   0.245  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1        3.398  -1.650   0.172  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   1  10
ATOM      6  O   LIG    1        9.230   2.584   0.862  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1        8.013   2.447   0.873  0.00  0.00    +0.259 A 
ATOM      8  C   LIG    1        7.370   1.143   0.622  0.00  0.00    +0.070 A 
ATOM      9  C   LIG    1        5.969   1.075   0.653  0.00  0.00    +0.122 A 
ATOM     10  C   LIG    1        5.418  -0.192   0.408  0.00  0.00    +0.180 A 
ATOM     11  N   LIG    1        6.193  -1.301   0.153  0.00  0.00    -0.234 NA
ATOM     12  C   LIG    1        7.533  -1.167   0.138  0.00  0.00    +0.114 A 
ATOM     13  N   LIG    1        5.210   2.235   0.918  0.00  0.00    -0.233 NA
ATOM     14  C   LIG    1        5.814   3.349   1.130  0.00  0.00    +0.200 A 
ATOM     15  C   LIG    1        8.169   0.029   0.365  0.00  0.00    +0.035 A 
ATOM     16  N   LIG    1        7.166   3.493   1.117  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1        7.594   4.391   1.289  0.00  0.00    +0.170 HD
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1        0.968  -2.512   0.078  0.00  0.00    +0.053 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.016  -2.223  -1.074  0.00  0.00    +0.089 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -0.940  -1.094  -0.848  0.00  0.00    -0.302 NA
ATOM     21  C   LIG    1       -1.661  -0.723  -2.075  0.00  0.00    +0.084 C 
ATOM     22  C   LIG    1       -3.091  -1.258  -2.128  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1       -3.942  -0.736  -0.955  0.00  0.00    -0.004 C 
ATOM     24  C   LIG    1       -3.059  -0.420   0.268  0.00  0.00    +0.019 C 
ATOM     25  C   LIG    1       -1.824  -1.318   0.307  0.00  0.00    +0.084 C 
BRANCH  23  26
ATOM     26  C   LIG    1       -4.780   0.487  -1.380  0.00  0.00    +0.038 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.781   0.926  -0.335  0.00  0.00    -0.047 A 
ATOM     28  C   LIG    1       -5.551   2.078   0.431  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -6.472   2.477   1.403  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -7.626   1.726   1.612  0.00  0.00    +0.041 A 
ATOM     31 CL   LIG    1       -8.760   2.217   2.809  0.00  0.00    -0.084 Cl
ATOM     32  C   LIG    1       -7.869   0.580   0.858  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1       -6.948   0.181  -0.113  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 6