REMARK  Name = BDB057304
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.846  -0.114   2.259  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -0.678  -0.541   2.852  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        0.691  -0.341   2.371  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1        1.582  -0.957   3.461  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1        0.655  -1.139   4.659  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1       -0.697  -1.396   4.019  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1       -2.947  -0.519   2.646  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        0.957  -1.067   1.034  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        2.140  -0.698   0.425  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1        2.599   0.152   0.724  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        0.198  -1.907   0.558  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        2.444  -1.169  -0.907  0.00  0.00    +0.104 C 
ATOM     13  C   LIG    1        3.865  -0.886  -1.305  0.00  0.00    -0.021 A 
ATOM     14  C   LIG    1        3.920  -0.428  -2.627  0.00  0.00    -0.007 A 
ATOM     15  C   LIG    1        5.134  -0.144  -3.221  0.00  0.00    +0.127 A 
ATOM     16  C   LIG    1        6.308  -0.307  -2.491  0.00  0.00    +0.038 A 
ATOM     17  C   LIG    1        6.256  -0.773  -1.168  0.00  0.00    +0.003 A 
ATOM     18  F   LIG    1        5.188   0.281  -4.489  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1        2.558  -0.370  -3.239  0.00  0.00    +0.040 C 
ATOM     20  C   LIG    1        5.028  -1.073  -0.569  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        1.669  -0.389  -1.989  0.00  0.00    +0.032 C 
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  22
ATOM     22  C   LIG    1       -1.755   0.895   1.089  0.00  0.00    +0.162 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -2.361   0.599  -1.298  0.00  0.00    +0.230 C 
ATOM     24  N   LIG    1       -2.628   0.393   0.035  0.00  0.00    -0.302 N 
ATOM     25  H   LIG    1       -3.430  -0.156   0.325  0.00  0.00    +0.150 HD
ATOM     26  O   LIG    1       -1.390   1.247  -1.690  0.00  0.00    -0.274 OA
BRANCH  23  27
ATOM     27  C   LIG    1       -3.344  -0.102  -2.262  0.00  0.00    +0.137 C 
ATOM     28  C   LIG    1       -2.736  -1.453  -2.638  0.00  0.00    +0.034 C 
BRANCH  27  30
ATOM     29  C   LIG    1       -4.441   0.226  -4.431  0.00  0.00    +0.101 C 
ATOM     30  N   LIG    1       -3.594   0.799  -3.402  0.00  0.00    -0.309 NA
ATOM     31  H   LIG    1       -2.692   1.082  -3.793  0.00  0.00    +0.122 HD
ENDBRANCH  27  30
ENDBRANCH  23  27
ENDBRANCH  22  24
BRANCH  22  32
ATOM     32  C   LIG    1       -2.129   2.341   1.496  0.00  0.00    +0.012 C 
ATOM     33  C   LIG    1       -1.100   2.944   2.454  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1       -3.534   2.475   2.090  0.00  0.00    +0.009 C 
ENDBRANCH  22  32
ENDBRANCH   1  22
TORSDOF 7