REMARK  Name = BDB013054
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.595  -0.057  -0.222  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        1.951  -0.391   1.002  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.593  -0.600   0.963  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.238  -0.928   2.239  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.296  -0.900   3.018  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.173  -0.485  -0.205  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.427  -0.190  -1.327  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.378  -0.560   2.237  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.793   0.004  -1.309  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        8.221   0.956  -0.832  0.00  0.00    +0.065 C 
ATOM     11  C   LIG    1        6.760   0.668  -0.659  0.00  0.00    +0.038 A 
ATOM     12  N   LIG    1        5.885   1.494  -1.277  0.00  0.00    -0.260 NA
ATOM     13  C   LIG    1        4.564   1.236  -1.111  0.00  0.00    +0.119 A 
ATOM     14  C   LIG    1        4.048   0.175  -0.370  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        4.980  -0.652   0.262  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        6.346  -0.409   0.118  0.00  0.00    +0.023 A 
ENDBRANCH   1  14
BRANCH   6  17
ATOM     17  N   LIG    1       -1.533  -0.686  -0.137  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -2.002  -0.618   0.759  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.395  -0.430  -1.275  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.823  -0.694  -0.878  0.00  0.00    -0.024 A 
ATOM     21  C   LIG    1       -4.659   0.313  -0.407  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.425   1.772  -0.276  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1       -5.648   2.149   0.559  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1       -6.668   1.140   0.387  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1       -5.968   0.039  -0.034  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1       -6.502  -1.231  -0.103  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1       -5.676  -2.262  -0.551  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -4.348  -1.998  -0.929  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 4