REMARK  Name = BDB030939
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.758  -2.002  -0.747  0.00  0.00    +0.090 A 
ATOM      2  C   LIG    1       -1.319  -2.286  -1.971  0.00  0.00    +0.099 A 
ATOM      3  C   LIG    1       -2.642  -1.929  -2.087  0.00  0.00    +0.129 A 
ATOM      4  N   LIG    1       -3.351  -1.338  -1.106  0.00  0.00    -0.222 NA
ATOM      5  C   LIG    1       -2.718  -1.098   0.046  0.00  0.00    +0.216 A 
ATOM      6  N   LIG    1       -1.436  -1.399   0.257  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        4.100  -0.202   0.800  0.00  0.00    +0.055 A 
ATOM      8  C   LIG    1        4.035  -1.601   0.618  0.00  0.00    +0.063 A 
ATOM      9 BR   LIG    1        5.545  -2.752   0.756  0.00  0.00    -0.046 Br
ATOM     10  C   LIG    1        2.810  -2.166   0.214  0.00  0.00    +0.063 A 
ATOM     11  C   LIG    1        1.666  -1.403  -0.018  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        0.625  -2.299  -0.418  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        1.152  -3.575  -0.394  0.00  0.00    +0.093 A 
ATOM     14  C   LIG    1        1.743  -0.010   0.156  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1        2.470  -3.479  -0.036  0.00  0.00    -0.359 N 
ATOM     16  H   LIG    1        3.111  -4.257   0.056  0.00  0.00    +0.165 HD
ATOM     17  C   LIG    1        2.953   0.570   0.559  0.00  0.00    +0.025 A 
BRANCH   7  19
ATOM     18  C   LIG    1        5.783   1.634   0.707  0.00  0.00    +0.407 C 
ATOM     19  N   LIG    1        5.275   0.462   1.269  0.00  0.00    -0.239 N 
ATOM     20  C   LIG    1        5.872   0.018   2.517  0.00  0.00    +0.142 C 
ATOM     21  O   LIG    1        6.680   2.299   1.220  0.00  0.00    -0.226 OA
BRANCH  18  23
ATOM     22  C   LIG    1        5.764   3.117  -1.112  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1        5.223   1.948  -0.497  0.00  0.00    -0.453 OA
ENDBRANCH  18  23
ENDBRANCH   7  19
ENDBRANCH   1  12
BRANCH   2  24
ATOM     24  C   LIG    1       -0.596  -2.921  -3.100  0.00  0.00    +0.421 C 
ATOM     25  F   LIG    1       -0.356  -4.247  -2.902  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -1.294  -2.859  -4.273  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1        0.608  -2.350  -3.376  0.00  0.00    -0.166 F 
ENDBRANCH   2  24
BRANCH   5  28
ATOM     28  N   LIG    1       -3.375  -0.497   1.104  0.00  0.00    -0.309 N 
ATOM     29  H   LIG    1       -2.661  -0.191   1.756  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -4.391   0.492   0.759  0.00  0.00    +0.087 C 
ATOM     31  C   LIG    1       -3.769   1.765   0.116  0.00  0.00    +0.103 C 
ATOM     32  N   LIG    1       -4.534   3.014   0.291  0.00  0.00    -0.314 NA
ATOM     33  H   LIG    1       -4.184   3.501   1.117  0.00  0.00    +0.122 HD
ATOM     34  C   LIG    1       -5.956   2.737   0.479  0.00  0.00    +0.081 C 
ATOM     35  C   LIG    1       -6.205   1.949   1.767  0.00  0.00    +0.017 C 
ATOM     36  C   LIG    1       -5.141   0.881   2.039  0.00  0.00    +0.025 C 
ENDBRANCH  28  30
ENDBRANCH   5  28
TORSDOF 6