REMARK  Name = BDB038874
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  CA  LIG    1       -2.637  -2.685   0.826  0.00  0.00    +0.149 A 
ATOM      2  N   LIG    1       -1.346  -2.296   0.678  0.00  0.00    -0.238 NA
ATOM      3  C   LIG    1       -1.065  -1.024   0.297  0.00  0.00    +0.096 A 
ATOM      4  C   LIG    1       -2.134  -0.140   0.112  0.00  0.00    +0.074 A 
ATOM      5  N   LIG    1       -2.149   1.202  -0.202  0.00  0.00    -0.352 N 
ATOM      6  H   LIG    1       -1.323   1.767  -0.335  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -3.436   1.676  -0.296  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -4.285   0.610  -0.008  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -5.677   0.833  -0.028  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -6.165   2.108  -0.337  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -5.289   3.153  -0.621  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -3.905   2.958  -0.605  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1       -3.464  -0.530   0.264  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -3.735  -1.857   0.626  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   3  15
ATOM     15  C   LIG    1        0.343  -0.660   0.131  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        1.285  -0.992   1.116  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1        2.635  -0.648   0.976  0.00  0.00    +0.009 A 
ATOM     18  C   LIG    1        3.094   0.033  -0.161  0.00  0.00    -0.018 A 
ATOM     19  C   LIG    1        2.158   0.350  -1.156  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        0.807   0.005  -1.015  0.00  0.00    +0.011 A 
BRANCH  18  21
ATOM     21  C   LIG    1        4.514   0.389  -0.312  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1        4.903   1.714  -0.583  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1        6.251   2.052  -0.727  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1        7.221   1.067  -0.601  0.00  0.00    +0.123 A 
ATOM     25  F   LIG    1        8.513   1.391  -0.739  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1        6.870  -0.249  -0.334  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1        5.521  -0.586  -0.190  0.00  0.00    +0.011 A 
ENDBRANCH  18  21
ENDBRANCH   3  15
BRANCH   1  29
ATOM     28  O   LIG    1       -3.992  -4.606   1.389  0.00  0.00    -0.243 OA
ATOM     29  C   LIG    1       -2.893  -4.099   1.234  0.00  0.00    +0.355 C 
BRANCH  29  30
ATOM     30  OXT LIG    1       -1.768  -4.815   1.433  0.00  0.00    -0.476 OA
ATOM     31  HXT LIG    1       -2.081  -5.706   1.685  0.00  0.00    +0.295 HD
ENDBRANCH  29  30
ENDBRANCH   1  29
TORSDOF 4