REMARK  Name = BDB030846
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.035  -1.859   1.289  0.00  0.00    +0.090 A 
ATOM      2  C   LIG    1       -1.476  -3.076   1.754  0.00  0.00    +0.099 A 
ATOM      3  C   LIG    1       -2.714  -3.448   1.284  0.00  0.00    +0.129 A 
ATOM      4  N   LIG    1       -3.448  -2.713   0.427  0.00  0.00    -0.222 NA
ATOM      5  C   LIG    1       -2.924  -1.559   0.007  0.00  0.00    +0.216 A 
ATOM      6  N   LIG    1       -1.737  -1.102   0.416  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        3.720   0.205  -0.226  0.00  0.00    +0.055 A 
ATOM      8  C   LIG    1        3.514   0.209   1.171  0.00  0.00    +0.063 A 
ATOM      9 BR   LIG    1        4.843   0.762   2.416  0.00  0.00    -0.046 Br
ATOM     10  C   LIG    1        2.303  -0.306   1.667  0.00  0.00    +0.063 A 
ATOM     11  C   LIG    1        1.311  -0.830   0.838  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        0.236  -1.267   1.675  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        0.587  -0.972   2.977  0.00  0.00    +0.093 A 
ATOM     14  C   LIG    1        1.538  -0.848  -0.552  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1        1.844  -0.426   2.961  0.00  0.00    -0.359 N 
ATOM     16  H   LIG    1        2.364  -0.129   3.776  0.00  0.00    +0.165 HD
ATOM     17  C   LIG    1        2.738  -0.339  -1.065  0.00  0.00    +0.025 A 
BRANCH   7  20
ATOM     18  O   LIG    1        5.395  -1.125  -2.065  0.00  0.00    -0.226 OA
ATOM     19  C   LIG    1        5.607   0.052  -1.783  0.00  0.00    +0.407 C 
ATOM     20  N   LIG    1        4.898   0.766  -0.815  0.00  0.00    -0.236 N 
ATOM     21  C   LIG    1        5.044   2.210  -0.722  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1        6.500   2.583  -0.843  0.00  0.00    +0.061 C 
ATOM     23  C   LIG    1        6.964   2.083  -2.188  0.00  0.00    +0.235 C 
ATOM     24  O   LIG    1        6.626   0.706  -2.417  0.00  0.00    -0.450 OA
ENDBRANCH   7  20
ENDBRANCH   1  12
BRANCH   2  25
ATOM     25  C   LIG    1       -0.721  -3.948   2.686  0.00  0.00    +0.421 C 
ATOM     26  F   LIG    1        0.585  -4.125   2.348  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -1.240  -5.209   2.765  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1       -0.727  -3.486   3.967  0.00  0.00    -0.166 F 
ENDBRANCH   2  25
BRANCH   5  29
ATOM     29  N   LIG    1       -3.688  -0.838  -0.895  0.00  0.00    -0.309 N 
ATOM     30  H   LIG    1       -4.644  -1.163  -0.765  0.00  0.00    +0.149 HD
BRANCH  29  31
ATOM     31  C   LIG    1       -3.575   0.620  -0.815  0.00  0.00    +0.087 C 
ATOM     32  C   LIG    1       -4.347   1.165   0.412  0.00  0.00    +0.103 C 
ATOM     33  N   LIG    1       -5.796   0.911   0.313  0.00  0.00    -0.314 NA
ATOM     34  H   LIG    1       -6.254   1.275   1.148  0.00  0.00    +0.122 HD
ATOM     35  C   LIG    1       -6.356   1.565  -0.871  0.00  0.00    +0.081 C 
ATOM     36  C   LIG    1       -5.690   1.077  -2.155  0.00  0.00    +0.017 C 
ATOM     37  C   LIG    1       -4.168   1.224  -2.099  0.00  0.00    +0.025 C 
ENDBRANCH  29  31
ENDBRANCH   5  29
TORSDOF 5