REMARK  Name = BDB004065
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.364  -0.400   1.999  0.00  0.00    +0.147 A 
ATOM      2  C   LIG    1       -1.886  -0.434   3.303  0.00  0.00    +0.099 A 
ATOM      3 CL   LIG    1       -2.898  -0.642   4.676  0.00  0.00    -0.078 Cl
ATOM      4  C   LIG    1       -0.526  -0.306   3.451  0.00  0.00    +0.137 A 
ATOM      5  N   LIG    1        0.325  -0.156   2.418  0.00  0.00    -0.221 NA
ATOM      6  C   LIG    1       -0.203  -0.130   1.188  0.00  0.00    +0.221 A 
ATOM      7  N   LIG    1       -1.522  -0.242   0.954  0.00  0.00    -0.198 NA
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1       -3.760  -0.497   1.776  0.00  0.00    -0.297 N 
ATOM      9  H   LIG    1       -4.175  -1.192   2.395  0.00  0.00    +0.154 HD
BRANCH   8  12
ATOM     10 CL   LIG    1       -6.284  -2.135   1.652  0.00  0.00    -0.082 Cl
ATOM     11  C   LIG    1       -5.703  -1.082   0.405  0.00  0.00    +0.062 A 
ATOM     12  C   LIG    1       -4.489  -0.384   0.568  0.00  0.00    +0.051 A 
ATOM     13  C   LIG    1       -4.087   0.471  -0.468  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -4.846   0.597  -1.636  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -6.030  -0.120  -1.785  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -6.463  -0.959  -0.762  0.00  0.00    +0.022 A 
ENDBRANCH   8  12
ENDBRANCH   1   8
BRANCH   6  17
ATOM     17  N   LIG    1        0.580   0.012   0.048  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1       -0.021  -0.024  -0.763  0.00  0.00    +0.155 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.952   0.151  -0.180  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        2.911   0.214   0.832  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1        4.274   0.356   0.535  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1        4.725   0.442  -0.787  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        3.770   0.382  -1.808  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1        2.408   0.240  -1.504  0.00  0.00    +0.024 A 
BRANCH  22  25
ATOM     25  C   LIG    1        6.155   0.589  -1.049  0.00  0.00    +0.179 A 
ATOM     26  N   LIG    1        6.742   0.665  -2.283  0.00  0.00    -0.239 N 
ATOM     27  H   LIG    1        6.327   0.635  -3.204  0.00  0.00    +0.192 HD
ATOM     28  N   LIG    1        8.069   0.796  -2.169  0.00  0.00    -0.046 NA
ATOM     29  N   LIG    1        8.300   0.801  -0.866  0.00  0.00    -0.023 NA
ATOM     30  N   LIG    1        7.130   0.673  -0.160  0.00  0.00    -0.108 NA
ENDBRANCH  22  25
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 5