REMARK  Name = BDB000103
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.980   0.611  -0.602  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.589   1.030  -0.998  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.553   0.340  -0.422  0.00  0.00    -0.291 N 
ATOM      4  C   LIG    1       -2.154   0.693  -0.762  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.413  -0.267   0.060  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -2.269  -1.086   0.792  0.00  0.00    +0.087 A 
ATOM      7  N   LIG    1       -1.649  -1.975   1.558  0.00  0.00    -0.175 NA
ATOM      8  N   LIG    1       -0.341  -1.706   1.293  0.00  0.00    -0.263 N 
ATOM      9  H   LIG    1        0.391  -2.250   1.744  0.00  0.00    +0.190 HD
ATOM     10  C   LIG    1       -0.151  -0.672   0.390  0.00  0.00    +0.126 A 
ATOM     11  C   LIG    1       -3.688  -0.779   0.554  0.00  0.00    +0.165 C 
ATOM     12  O   LIG    1       -4.401   1.946  -1.798  0.00  0.00    -0.276 OA
ENDROOT
BRANCH  10  13
ATOM     13  N   LIG    1        1.082  -0.216  -0.029  0.00  0.00    -0.266 N 
ATOM     14  H   LIG    1        1.102   0.521  -0.722  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1        2.257  -0.800   0.416  0.00  0.00    +0.249 C 
ATOM     16  O   LIG    1        2.314  -1.768   1.171  0.00  0.00    -0.270 OA
BRANCH  15  17
ATOM     17  C   LIG    1        3.518  -0.202  -0.105  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1        3.626   1.166  -0.399  0.00  0.00    +0.016 A 
ATOM     19  C   LIG    1        4.833   1.679  -0.882  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1        5.922   0.832  -1.059  0.00  0.00    +0.123 A 
ATOM     21  F   LIG    1        7.076   1.330  -1.520  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1        5.833  -0.522  -0.756  0.00  0.00    +0.039 A 
ATOM     23  C   LIG    1        4.630  -1.041  -0.273  0.00  0.00    +0.016 A 
ENDBRANCH  15  17
ENDBRANCH  10  13
TORSDOF 2