REMARK  Name = BDB049246
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.167  -1.877   0.742  0.00  0.00    +0.223 A 
ATOM      2  N   LIG    1       -2.804  -2.970   1.197  0.00  0.00    -0.196 NA
ATOM      3  C   LIG    1       -4.133  -2.823   1.233  0.00  0.00    +0.145 A 
ATOM      4  C   LIG    1       -4.856  -1.699   0.876  0.00  0.00    +0.058 A 
ATOM      5  C   LIG    1       -6.230  -2.015   1.078  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -6.297  -3.310   1.551  0.00  0.00    +0.085 A 
ATOM      7  C   LIG    1       -4.113  -0.596   0.438  0.00  0.00    +0.133 A 
ATOM      8  N   LIG    1       -5.014  -3.787   1.641  0.00  0.00    -0.346 N 
ATOM      9  H   LIG    1       -4.736  -4.706   1.954  0.00  0.00    +0.167 HD
ATOM     10  N   LIG    1       -2.767  -0.727   0.375  0.00  0.00    -0.199 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1       -0.778  -2.003   0.703  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1       -0.524  -2.910   1.063  0.00  0.00    +0.155 HD
BRANCH  11  16
ATOM     13  C   LIG    1        2.412   0.310  -0.835  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1        2.650  -0.782   0.003  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        1.575  -1.538   0.487  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1        0.247  -1.228   0.151  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1        0.028  -0.114  -0.664  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        1.095   0.649  -1.155  0.00  0.00    +0.015 A 
BRANCH  13  21
ATOM     19  N   LIG    1        4.721   0.515  -1.587  0.00  0.00    -0.311 N 
ATOM     20  H   LIG    1        4.785  -0.486  -1.475  0.00  0.00    +0.149 HD
ATOM     21  C   LIG    1        3.514   1.151  -1.378  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1        3.314   2.333  -1.634  0.00  0.00    -0.270 OA
BRANCH  19  23
ATOM     23  C   LIG    1        5.876   1.211  -2.117  0.00  0.00    +0.104 C 
BRANCH  23  25
ATOM     24  C   LIG    1        6.447   2.523  -0.016  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1        6.918   1.499  -1.038  0.00  0.00    +0.015 C 
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH  13  21
ENDBRANCH  11  16
ENDBRANCH   1  11
BRANCH   7  26
ATOM     26  N   LIG    1       -4.716   0.610   0.064  0.00  0.00    -0.320 N 
ATOM     27  H   LIG    1       -5.646   0.693   0.466  0.00  0.00    +0.148 HD
BRANCH  26  28
ATOM     28  C   LIG    1       -3.874   1.809   0.268  0.00  0.00    +0.216 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.705   2.247   1.730  0.00  0.00    +0.405 C 
ATOM     30  F   LIG    1       -3.086   3.450   1.800  0.00  0.00    -0.169 F 
ATOM     31  F   LIG    1       -4.919   2.391   2.321  0.00  0.00    -0.169 F 
ATOM     32  F   LIG    1       -2.992   1.378   2.474  0.00  0.00    -0.169 F 
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH   7  26
TORSDOF 8