REMARK  Name = BDB004040
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.118  -0.217   0.097  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1        0.060  -0.594  -0.435  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        1.190  -0.053   0.054  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1        1.202   0.831   1.058  0.00  0.00    -0.223 NA
ATOM      5  C   LIG    1        0.018   1.166   1.591  0.00  0.00    +0.118 A 
ATOM      6  C   LIG    1       -1.179   0.667   1.148  0.00  0.00    +0.063 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -2.244  -0.825  -0.456  0.00  0.00    -0.297 N 
ATOM      8  H   LIG    1       -1.959  -1.537  -1.124  0.00  0.00    +0.154 HD
BRANCH   7  11
ATOM      9  F   LIG    1       -4.096  -2.676  -1.247  0.00  0.00    -0.204 F 
ATOM     10  C   LIG    1       -4.523  -1.430  -0.985  0.00  0.00    +0.144 A 
ATOM     11  C   LIG    1       -3.591  -0.448  -0.605  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1       -4.082   0.835  -0.344  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1       -5.448   1.123  -0.464  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -6.349   0.129  -0.842  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -5.884  -1.155  -1.106  0.00  0.00    +0.040 A 
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   3  16
ATOM     16  N   LIG    1        2.358  -0.485  -0.568  0.00  0.00    -0.284 N 
ATOM     17  H   LIG    1        2.117  -1.148  -1.289  0.00  0.00    +0.155 HD
BRANCH  16  18
ATOM     18  C   LIG    1        3.717  -0.205  -0.395  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1        4.217   0.683   0.563  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1        5.591   0.922   0.685  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        6.492   0.274  -0.153  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        6.019  -0.614  -1.114  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        4.646  -0.848  -1.231  0.00  0.00    +0.023 A 
ENDBRANCH  16  18
ENDBRANCH   3  16
TORSDOF 4