REMARK  Name = BDB001114
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.265  -2.549  -1.749  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -0.484  -1.472  -1.095  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -0.929  -0.441  -0.258  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1        0.184   0.307   0.054  0.00  0.00    +0.145 A 
ATOM      5  N   LIG    1        0.135   1.493   0.776  0.00  0.00    -0.307 N 
ATOM      6  H   LIG    1        0.939   2.091   0.901  0.00  0.00    +0.170 HD
ATOM      7  C   LIG    1       -1.076   1.958   1.262  0.00  0.00    +0.254 A 
ATOM      8  C   LIG    1       -2.265   1.115   0.984  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1       -3.654   1.381   1.424  0.00  0.00    +0.041 C 
ATOM     10  C   LIG    1       -4.453   0.380   0.573  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -3.463  -0.688   0.073  0.00  0.00    +0.036 C 
ATOM     12  O   LIG    1       -1.168   3.009   1.886  0.00  0.00    -0.268 OA
ATOM     13  N   LIG    1        1.266  -0.339  -0.526  0.00  0.00    -0.216 N 
ATOM     14  C   LIG    1       -2.162  -0.002   0.256  0.00  0.00    -0.027 A 
ATOM     15  N   LIG    1        0.835  -1.376  -1.311  0.00  0.00    -0.169 NA
ENDROOT
BRANCH  13  16
ATOM     16  C   LIG    1        2.662  -0.086  -0.399  0.00  0.00    +0.068 A 
ATOM     17  C   LIG    1        3.187   0.652   0.669  0.00  0.00    +0.028 A 
ATOM     18  C   LIG    1        4.564   0.879   0.756  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        5.425   0.364  -0.211  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        4.915  -0.395  -1.261  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        3.541  -0.628  -1.352  0.00  0.00    +0.028 A 
ENDBRANCH  13  16
TORSDOF 1