REMARK  Name = BDB014172
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.054  -0.144   0.500  0.00  0.00    +0.008 A 
ATOM      2  C   LIG    1        2.912   0.659   0.548  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1        1.718   0.108   0.999  0.00  0.00    +0.091 A 
ATOM      4  N   LIG    1        1.617  -1.183   1.410  0.00  0.00    -0.253 NA
ATOM      5  C   LIG    1        2.735  -1.934   1.369  0.00  0.00    +0.112 A 
ATOM      6  C   LIG    1        3.963  -1.468   0.930  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        6.235  -0.153  -0.800  0.00  0.00    +0.166 A 
ATOM      8  C   LIG    1        5.300   0.423   0.029  0.00  0.00    +0.124 A 
ATOM      9  N   LIG    1        5.705   1.697   0.336  0.00  0.00    -0.129 NA
ATOM     10  N   LIG    1        6.869   1.920  -0.258  0.00  0.00    -0.067 NA
ATOM     11  N   LIG    1        7.185   0.814  -0.943  0.00  0.00    -0.253 N 
ATOM     12  H   LIG    1        8.044   0.803  -1.485  0.00  0.00    +0.191 HD
BRANCH   7  14
ATOM     13  F   LIG    1        7.354  -1.407  -2.406  0.00  0.00    -0.164 F 
ATOM     14  C   LIG    1        6.355  -1.432  -1.486  0.00  0.00    +0.436 C 
ATOM     15  F   LIG    1        6.648  -2.438  -0.626  0.00  0.00    -0.164 F 
ATOM     16  F   LIG    1        5.225  -1.781  -2.143  0.00  0.00    -0.164 F 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  17
ATOM     17  C   LIG    1        0.508   0.917   1.043  0.00  0.00    +0.107 A 
ATOM     18  N   LIG    1        0.448   2.249   0.683  0.00  0.00    -0.234 NA
ATOM     19  C   LIG    1       -0.802   2.605   0.874  0.00  0.00    +0.200 A 
ATOM     20  N   LIG    1       -1.561   1.558   1.317  0.00  0.00    -0.336 N 
ATOM     21  C   LIG    1       -0.736   0.480   1.452  0.00  0.00    +0.117 A 
BRANCH  20  22
ATOM     22  C   LIG    1       -2.962   1.627   1.680  0.00  0.00    +0.131 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.969   1.139   0.614  0.00  0.00    +0.045 C 
ATOM     24  C   LIG    1       -3.958  -0.345   0.303  0.00  0.00    -0.001 A 
ATOM     25  C   LIG    1       -4.114  -0.794  -1.017  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1       -4.079  -2.157  -1.319  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1       -3.939  -3.097  -0.302  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -3.840  -2.672   1.019  0.00  0.00    +0.001 A 
ATOM     29  O   LIG    1       -4.295   0.039  -2.090  0.00  0.00    -0.492 OA
ATOM     30  C   LIG    1       -4.742   1.349  -1.742  0.00  0.00    +0.230 C 
ATOM     31  C   LIG    1       -3.859  -1.308   1.321  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -3.849   1.959  -0.679  0.00  0.00    +0.051 C 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   3  17
TORSDOF 5