REMARK  Name = BDB003121
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.667   0.017  -0.768  0.00  0.00    +0.126 A 
ATOM      2  C   LIG    1       -0.439   0.849  -1.032  0.00  0.00    +0.011 A 
ATOM      3  C   LIG    1       -0.861   1.008  -2.364  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -0.215   0.343  -3.406  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        0.877  -0.473  -3.135  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        1.323  -0.630  -1.821  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        1.067  -0.060   0.542  0.00  0.00    -0.487 OA
BRANCH   7   8
ATOM      8  C   LIG    1        1.754  -1.245   0.958  0.00  0.00    +0.264 C 
BRANCH   8  12
ATOM      9  F   LIG    1        6.213  -3.188   0.576  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1        5.454  -2.099   0.753  0.00  0.00    +0.124 A 
ATOM     11  C   LIG    1        4.068  -2.226   0.753  0.00  0.00    +0.045 A 
ATOM     12  C   LIG    1        3.259  -1.094   0.929  0.00  0.00    -0.008 A 
ATOM     13  C   LIG    1        3.877   0.151   1.129  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1        5.270   0.267   1.126  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1        6.062  -0.863   0.935  0.00  0.00    +0.038 A 
ENDBRANCH   8  12
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   2  16
ATOM     16  C   LIG    1       -1.108   1.598   0.105  0.00  0.00    +0.140 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -2.449   2.094  -0.220  0.00  0.00    -0.340 N 
ATOM     18  H   LIG    1       -2.594   3.035   0.134  0.00  0.00    +0.146 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -3.574   1.291  -0.002  0.00  0.00    +0.027 A 
ATOM     20  C   LIG    1       -4.835   1.907   0.035  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1       -6.008   1.161   0.182  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -5.944  -0.225   0.267  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.709  -0.860   0.189  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.538  -0.108   0.041  0.00  0.00    +0.023 A 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 6