REMARK  Name = BDB013714
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.490   0.580   0.230  0.00  0.00    +0.147 A 
ATOM      2  C   LIG    1       -2.407  -0.459  -0.311  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -3.688  -0.067  -0.678  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -4.589  -1.000  -1.213  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -4.205  -2.331  -1.368  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.928  -2.733  -0.982  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -4.104   1.331  -0.480  0.00  0.00    +0.275 A 
ATOM      8  O   LIG    1       -5.224   1.684  -0.843  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -3.178   2.167   0.131  0.00  0.00    -0.230 N 
ATOM     10  C   LIG    1       -3.503   3.562   0.354  0.00  0.00    +0.176 C 
ATOM     11  C   LIG    1       -2.029  -1.803  -0.451  0.00  0.00    +0.012 A 
ATOM     12  N   LIG    1       -1.893   1.802   0.438  0.00  0.00    -0.153 NA
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -0.181   0.241   0.514  0.00  0.00    -0.326 N 
ATOM     14  H   LIG    1        0.232  -0.515  -0.028  0.00  0.00    +0.148 HD
BRANCH  13  15
ATOM     15  C   LIG    1        0.821   1.253   0.828  0.00  0.00    +0.118 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.194   0.575   1.023  0.00  0.00    +0.103 C 
BRANCH  16  18
ATOM     17  C   LIG    1        2.777   0.339  -1.333  0.00  0.00    +0.105 C 
ATOM     18  N   LIG    1        2.558  -0.370  -0.066  0.00  0.00    -0.297 NA
BRANCH  18  19
ATOM     19  C   LIG    1        3.699  -1.207   0.402  0.00  0.00    +0.108 C 
ATOM     20  C   LIG    1        5.092  -0.595   0.198  0.00  0.00    +0.181 C 
ATOM     21  O   LIG    1        5.311  -1.400  -0.992  0.00  0.00    -0.377 OA
ATOM     22  C   LIG    1        4.158  -2.223  -0.656  0.00  0.00    +0.181 C 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   1  13
TORSDOF 5