REMARK  Name = BDB013126
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.474  -0.274  -0.291  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1        1.344  -1.037   0.492  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1        2.696  -0.809   0.549  0.00  0.00    +0.173 A 
ATOM      4  N   LIG    1        3.251  -1.680   1.366  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1        2.254  -2.511   1.833  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        3.207   0.249  -0.247  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        2.310   0.910  -1.013  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        1.123  -2.124   1.286  0.00  0.00    +0.232 A 
ATOM      9  N   LIG    1        0.949   0.674  -1.055  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        4.633   0.617  -0.319  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        5.161   1.829   0.141  0.00  0.00    +0.052 A 
ATOM     12 CL   LIG    1        4.172   3.036   0.891  0.00  0.00    -0.083 Cl
ATOM     13  C   LIG    1        6.524   2.099   0.024  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1        7.330   1.138  -0.554  0.00  0.00    +0.112 A 
ATOM     15  N   LIG    1        6.869  -0.045  -1.006  0.00  0.00    -0.263 NA
ATOM     16  C   LIG    1        5.542  -0.283  -0.867  0.00  0.00    +0.120 A 
ENDBRANCH   6  10
BRANCH   1  17
ATOM     17  N   LIG    1       -0.879  -0.528  -0.291  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -1.282  -0.052  -1.097  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.665  -0.173   0.886  0.00  0.00    +0.143 C 
BRANCH  19  22
ATOM     20  F   LIG    1       -2.574  -2.663   1.847  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1       -3.464  -1.905   1.190  0.00  0.00    +0.129 A 
ATOM     22  C   LIG    1       -3.075  -0.648   0.706  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -4.039   0.090   0.026  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -3.939   1.398  -0.666  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -5.425   1.678  -0.891  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1       -6.148   0.426  -0.862  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -5.323  -0.410  -0.157  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -5.707  -1.650   0.313  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -4.759  -2.405   1.002  0.00  0.00    +0.042 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 4