REMARK  Name = BDB030848
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.788  -1.544  -1.330  0.00  0.00    +0.090 A 
ATOM      2  C   LIG    1        1.511  -1.947  -2.430  0.00  0.00    +0.099 A 
ATOM      3  C   LIG    1        2.849  -1.635  -2.374  0.00  0.00    +0.129 A 
ATOM      4  N   LIG    1        3.428  -0.980  -1.349  0.00  0.00    -0.222 NA
ATOM      5  C   LIG    1        2.643  -0.627  -0.327  0.00  0.00    +0.216 A 
ATOM      6  N   LIG    1        1.333  -0.873  -0.290  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1       -4.160   0.477  -0.592  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1       -4.134  -0.928  -0.701  0.00  0.00    +0.063 A 
ATOM      9 BR   LIG    1       -5.698  -2.002  -0.810  0.00  0.00    -0.046 Br
ATOM     10  C   LIG    1       -2.886  -1.550  -0.884  0.00  0.00    +0.063 A 
ATOM     11  C   LIG    1       -1.694  -0.834  -1.003  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -0.639  -1.782  -1.185  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1       -1.208  -3.039  -1.152  0.00  0.00    +0.093 A 
ATOM     14  C   LIG    1       -1.748   0.572  -0.954  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1       -2.561  -2.885  -1.004  0.00  0.00    -0.359 N 
ATOM     16  H   LIG    1       -3.236  -3.639  -0.958  0.00  0.00    +0.165 HD
ATOM     17  C   LIG    1       -2.981   1.210  -0.766  0.00  0.00    +0.025 A 
BRANCH   7  20
ATOM     18  O   LIG    1       -7.251   1.863   0.597  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -6.277   1.112   0.604  0.00  0.00    +0.220 C 
ATOM     20  N   LIG    1       -5.328   1.235  -0.385  0.00  0.00    -0.284 N 
ATOM     21  H   LIG    1       -5.368   2.158  -0.799  0.00  0.00    +0.155 HD
BRANCH  19  22
ATOM     22  C   LIG    1       -6.067   0.163   1.737  0.00  0.00    +0.075 C 
ATOM     23  C   LIG    1       -7.199  -0.724   2.204  0.00  0.00    +0.013 C 
ATOM     24  C   LIG    1       -6.750   0.418   3.066  0.00  0.00    +0.013 C 
ENDBRANCH  19  22
ENDBRANCH   7  20
ENDBRANCH   1  12
BRANCH   2  25
ATOM     25  C   LIG    1        0.939  -2.656  -3.600  0.00  0.00    +0.421 C 
ATOM     26  F   LIG    1       -0.193  -2.083  -4.092  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1        0.630  -3.956  -3.339  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        1.800  -2.701  -4.659  0.00  0.00    -0.166 F 
ENDBRANCH   2  25
BRANCH   5  29
ATOM     29  N   LIG    1        3.159   0.035   0.774  0.00  0.00    -0.309 N 
ATOM     30  H   LIG    1        2.361   0.443   1.250  0.00  0.00    +0.149 HD
BRANCH  29  31
ATOM     31  C   LIG    1        4.290   0.924   0.530  0.00  0.00    +0.087 C 
ATOM     32  C   LIG    1        5.636   0.163   0.636  0.00  0.00    +0.103 C 
ATOM     33  N   LIG    1        6.814   1.042   0.532  0.00  0.00    -0.314 NA
ATOM     34  H   LIG    1        6.817   1.476  -0.391  0.00  0.00    +0.122 HD
ATOM     35  C   LIG    1        6.782   2.082   1.560  0.00  0.00    +0.081 C 
ATOM     36  C   LIG    1        5.510   2.923   1.479  0.00  0.00    +0.017 C 
ATOM     37  C   LIG    1        4.261   2.050   1.578  0.00  0.00    +0.025 C 
ENDBRANCH  29  31
ENDBRANCH   5  29
TORSDOF 6