REMARK  Name = BDB030973
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.198   0.056  -2.273  0.00  0.00    +0.090 A 
ATOM      2  C   LIG    1       -0.288  -0.913  -3.120  0.00  0.00    +0.099 A 
ATOM      3  C   LIG    1       -1.614  -1.221  -2.929  0.00  0.00    +0.129 A 
ATOM      4  N   LIG    1       -2.394  -0.647  -1.992  0.00  0.00    -0.222 NA
ATOM      5  C   LIG    1       -1.832   0.282  -1.214  0.00  0.00    +0.216 A 
ATOM      6  N   LIG    1       -0.553   0.645  -1.313  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        4.893   0.765   0.305  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1        4.881   1.239  -1.023  0.00  0.00    +0.086 A 
ATOM      9 CL   LIG    1        6.271   1.984  -1.733  0.00  0.00    -0.079 Cl
ATOM     10  C   LIG    1        3.709   1.102  -1.783  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1        2.554   0.512  -1.271  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        1.571   0.528  -2.309  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        2.139   1.155  -3.401  0.00  0.00    +0.093 A 
ATOM     14  C   LIG    1        2.575   0.044   0.058  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1        3.430   1.481  -3.077  0.00  0.00    -0.359 N 
ATOM     16  H   LIG    1        4.088   1.950  -3.686  0.00  0.00    +0.165 HD
ATOM     17  C   LIG    1        3.741   0.175   0.829  0.00  0.00    +0.025 A 
BRANCH   7  19
ATOM     18  C   LIG    1        6.345   0.538   2.336  0.00  0.00    +0.404 C 
ATOM     19  N   LIG    1        6.081   0.912   1.051  0.00  0.00    -0.250 N 
ATOM     20  H   LIG    1        6.862   1.356   0.584  0.00  0.00    +0.158 HD
ATOM     21  O   LIG    1        5.597  -0.015   3.128  0.00  0.00    -0.226 OA
BRANCH  18  23
ATOM     22  C   LIG    1        8.046   0.554   3.945  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1        7.629   0.888   2.620  0.00  0.00    -0.453 OA
ENDBRANCH  18  23
ENDBRANCH   7  19
ENDBRANCH   1  12
BRANCH   2  24
ATOM     24  C   LIG    1        0.515  -1.597  -4.163  0.00  0.00    +0.421 C 
ATOM     25  F   LIG    1        1.713  -2.065  -3.719  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -0.120  -2.690  -4.682  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1        0.785  -0.803  -5.235  0.00  0.00    -0.166 F 
ENDBRANCH   2  24
BRANCH   5  28
ATOM     28  N   LIG    1       -2.563   0.931  -0.233  0.00  0.00    -0.309 N 
ATOM     29  H   LIG    1       -1.874   1.350   0.384  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -3.611   0.151   0.418  0.00  0.00    +0.087 C 
ATOM     31  C   LIG    1       -4.955   0.263  -0.337  0.00  0.00    +0.103 C 
ATOM     32  N   LIG    1       -6.077  -0.466   0.278  0.00  0.00    -0.312 NA
ATOM     33  H   LIG    1       -6.252  -1.325  -0.242  0.00  0.00    +0.122 HD
ATOM     34  C   LIG    1       -5.876  -0.783   1.696  0.00  0.00    +0.051 C 
ATOM     35  C   LIG    1       -7.234  -1.093   2.323  0.00  0.00    +0.024 C 
ATOM     36  C   LIG    1       -5.181   0.366   2.432  0.00  0.00    +0.020 C 
ATOM     37  C   LIG    1       -3.793   0.665   1.858  0.00  0.00    +0.025 C 
ENDBRANCH  28  30
ENDBRANCH   5  28
TORSDOF 6