REMARK  Name = BDB030881
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.832  -1.530  -1.022  0.00  0.00    +0.090 A 
ATOM      2  C   LIG    1       -1.459  -1.999  -2.153  0.00  0.00    +0.099 A 
ATOM      3  C   LIG    1       -2.799  -1.699  -2.224  0.00  0.00    +0.129 A 
ATOM      4  N   LIG    1       -3.465  -0.994  -1.290  0.00  0.00    -0.222 NA
ATOM      5  C   LIG    1       -2.764  -0.554  -0.242  0.00  0.00    +0.216 A 
ATOM      6  N   LIG    1       -1.466  -0.805  -0.070  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        3.998   0.641  -0.026  0.00  0.00    +0.055 A 
ATOM      8  C   LIG    1        4.026  -0.780  -0.050  0.00  0.00    +0.063 A 
ATOM      9 BR   LIG    1        5.694  -1.709   0.034  0.00  0.00    -0.046 Br
ATOM     10  C   LIG    1        2.811  -1.487  -0.275  0.00  0.00    +0.065 A 
ATOM     11  C   LIG    1        1.611  -0.795  -0.519  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        0.577  -1.752  -0.743  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        1.140  -2.996  -0.590  0.00  0.00    +0.096 A 
ATOM     14  C   LIG    1        1.616   0.613  -0.531  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1        2.479  -2.835  -0.326  0.00  0.00    -0.348 N 
ATOM     16  C   LIG    1        3.352  -3.967  -0.092  0.00  0.00    +0.149 C 
ATOM     17  C   LIG    1        2.798   1.310  -0.285  0.00  0.00    +0.025 A 
BRANCH   7  19
ATOM     18  C   LIG    1        5.477   2.565  -0.461  0.00  0.00    +0.407 C 
ATOM     19  N   LIG    1        5.148   1.437   0.293  0.00  0.00    -0.239 N 
ATOM     20  C   LIG    1        5.845   1.172   1.545  0.00  0.00    +0.142 C 
ATOM     21  O   LIG    1        4.916   2.921  -1.492  0.00  0.00    -0.226 OA
BRANCH  18  23
ATOM     22  C   LIG    1        6.936   4.391  -0.681  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1        6.540   3.242   0.068  0.00  0.00    -0.453 OA
ENDBRANCH  18  23
ENDBRANCH   7  19
ENDBRANCH   1  12
BRANCH   2  24
ATOM     24  C   LIG    1       -0.789  -2.769  -3.229  0.00  0.00    +0.421 C 
ATOM     25  F   LIG    1        0.382  -2.227  -3.655  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -0.510  -4.053  -2.867  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -1.559  -2.881  -4.352  0.00  0.00    -0.166 F 
ENDBRANCH   2  24
BRANCH   5  28
ATOM     28  N   LIG    1       -3.361   0.204   0.752  0.00  0.00    -0.309 N 
ATOM     29  H   LIG    1       -2.725   0.152   1.541  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -4.767  -0.087   1.036  0.00  0.00    +0.087 C 
ATOM     31  C   LIG    1       -5.693   0.670   0.040  0.00  0.00    +0.103 C 
ATOM     32  N   LIG    1       -7.029   0.954   0.584  0.00  0.00    -0.314 NA
ATOM     33  H   LIG    1       -7.459   0.073   0.867  0.00  0.00    +0.122 HD
ATOM     34  C   LIG    1       -6.951   1.848   1.744  0.00  0.00    +0.081 C 
ATOM     35  C   LIG    1       -5.649   1.745   2.546  0.00  0.00    +0.017 C 
ATOM     36  C   LIG    1       -5.077   0.332   2.491  0.00  0.00    +0.025 C 
ENDBRANCH  28  30
ENDBRANCH   5  28
TORSDOF 6