REMARK  Name = BDB014373
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.798  -0.168  -1.028  0.00  0.00    -0.298 N 
ATOM      2  C   LIG    1        0.043  -1.257  -1.565  0.00  0.00    +0.127 C 
ATOM      3  C   LIG    1        1.449  -0.771  -1.986  0.00  0.00    +0.125 C 
ATOM      4  N   LIG    1        2.123  -0.104  -0.856  0.00  0.00    -0.312 N 
ATOM      5  C   LIG    1        1.285   0.829  -0.068  0.00  0.00    +0.125 C 
ATOM      6  C   LIG    1       -0.086   1.090  -0.731  0.00  0.00    +0.127 C 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1       -4.542  -0.115   2.052  0.00  0.00    +0.064 A 
ATOM      8  C   LIG    1       -3.579  -0.422   1.070  0.00  0.00    +0.103 A 
ATOM      9  C   LIG    1       -3.682  -1.625   0.380  0.00  0.00    +0.068 A 
ATOM     10  N   LIG    1       -2.619  -1.609  -0.486  0.00  0.00    -0.326 N 
ATOM     11  H   LIG    1       -2.402  -2.318  -1.167  0.00  0.00    +0.169 HD
ATOM     12  C   LIG    1       -1.907  -0.450  -0.297  0.00  0.00    +0.197 A 
ATOM     13  C   LIG    1       -4.695  -2.561   0.602  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -5.642  -2.244   1.581  0.00  0.00    +0.003 A 
ATOM     15  N   LIG    1       -2.478   0.290   0.626  0.00  0.00    -0.214 NA
ATOM     16  C   LIG    1       -5.571  -1.045   2.295  0.00  0.00    +0.015 A 
BRANCH   7  20
ATOM     17  N   LIG    1       -3.491   2.020   2.559  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1       -2.815   1.823   1.824  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -3.464   2.904   3.043  0.00  0.00    +0.145 HD
ATOM     20  C   LIG    1       -4.505   1.147   2.828  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1       -5.351   1.405   3.676  0.00  0.00    -0.270 OA
ENDBRANCH   7  20
ENDBRANCH   1  12
BRANCH   4  22
ATOM     22  C   LIG    1        3.467   0.207  -1.042  0.00  0.00    +0.125 A 
ATOM     23  N   LIG    1        4.028  -0.024  -2.241  0.00  0.00    -0.221 NA
ATOM     24  C   LIG    1        5.328   0.265  -2.389  0.00  0.00    +0.223 A 
ATOM     25  N   LIG    1        6.136   0.757  -1.446  0.00  0.00    -0.231 NA
ATOM     26  C   LIG    1        5.571   0.969  -0.234  0.00  0.00    +0.149 A 
ATOM     27  C   LIG    1        4.231   0.698   0.003  0.00  0.00    +0.076 A 
BRANCH  26  28
ATOM     28  C   LIG    1        6.417   1.495   0.912  0.00  0.00    +0.434 C 
ATOM     29  F   LIG    1        6.581   0.571   1.904  0.00  0.00    -0.164 F 
ATOM     30  F   LIG    1        7.672   1.885   0.553  0.00  0.00    -0.164 F 
ATOM     31  F   LIG    1        5.851   2.581   1.518  0.00  0.00    -0.164 F 
ENDBRANCH  26  28
ENDBRANCH   4  22
TORSDOF 4