REMARK  Name = BDB055350
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.090  -2.135   1.154  0.00  0.00    +0.132 C 
ATOM      2  N   LIG    1        3.117  -1.136   0.737  0.00  0.00    -0.300 N 
ATOM      3  C   LIG    1        3.445  -0.305  -0.337  0.00  0.00    +0.247 C 
ATOM      4  O   LIG    1        4.545  -0.388  -0.890  0.00  0.00    -0.270 OA
ATOM      5  C   LIG    1        2.492   0.709  -0.875  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        1.088   0.653  -0.701  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        0.286   1.601  -1.348  0.00  0.00    +0.050 A 
ATOM      8  C   LIG    1        0.829   2.629  -2.136  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1        2.213   2.686  -2.286  0.00  0.00    +0.003 A 
ATOM     10  N   LIG    1       -1.031   1.294  -1.058  0.00  0.00    -0.343 N 
ATOM     11  C   LIG    1       -2.174   1.998  -1.605  0.00  0.00    +0.149 C 
ATOM     12  C   LIG    1       -1.097   0.227  -0.187  0.00  0.00    +0.053 A 
ATOM     13  C   LIG    1        0.207  -0.186   0.049  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1        0.648  -1.272   0.971  0.00  0.00    +0.057 C 
ATOM     15  C   LIG    1        3.028   1.738  -1.677  0.00  0.00    +0.014 A 
ATOM     16  C   LIG    1        1.980  -0.929   1.632  0.00  0.00    +0.112 C 
ENDROOT
BRANCH  12  17
ATOM     17  C   LIG    1       -2.344  -0.308   0.357  0.00  0.00    -0.001 A 
ATOM     18  C   LIG    1       -3.072   0.416   1.307  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1       -4.260  -0.102   1.827  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -4.723  -1.347   1.402  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -3.998  -2.076   0.460  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -2.810  -1.560  -0.060  0.00  0.00    +0.010 A 
ENDBRANCH  12  17
TORSDOF 1