REMARK  Name = BDB040601
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.519  -1.888   0.955  0.00  0.00    -0.026 A 
ATOM      2  C   LIG    1       -2.589  -1.801   1.854  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -3.724  -1.032   1.552  0.00  0.00    +0.048 A 
ATOM      4 CL   LIG    1       -4.991  -1.019   2.728  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1       -3.812  -0.321   0.347  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -2.731  -0.426  -0.542  0.00  0.00    +0.129 A 
ATOM      7  F   LIG    1       -2.772   0.224  -1.714  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -1.604  -1.190  -0.253  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -5.003   0.547  -0.026  0.00  0.00    +0.110 C 
ATOM     10  C   LIG    1       -4.593   1.986  -0.339  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1       -3.703   2.580   0.267  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1       -5.338   2.642  -1.291  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1       -5.073   3.601  -1.470  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1       -6.506   2.227  -1.877  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -7.172   2.987  -2.574  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -6.966   0.829  -1.545  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1       -5.789  -0.066  -1.192  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1       -0.281  -2.677   1.295  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1        1.769  -1.360   0.900  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1        0.769  -1.793   1.750  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        0.610  -1.305   2.620  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        1.856  -1.786  -0.250  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1        2.726  -0.278   1.481  0.00  0.00    +0.068 C 
ATOM     24  C   LIG    1        3.239  -0.709   2.876  0.00  0.00    +0.025 C 
ATOM     25  C   LIG    1        1.890   1.009   1.667  0.00  0.00    +0.025 C 
BRANCH  23  29
ATOM     26  C   LIG    1        6.137   0.288  -1.081  0.00  0.00    +0.214 A 
ATOM     27  N   LIG    1        5.297   1.326  -0.903  0.00  0.00    -0.221 NA
ATOM     28  C   LIG    1        4.224   1.113  -0.102  0.00  0.00    +0.119 A 
ATOM     29  C   LIG    1        3.945  -0.082   0.561  0.00  0.00    -0.015 A 
ATOM     30  C   LIG    1        4.851  -1.132   0.337  0.00  0.00    +0.011 A 
ATOM     31  C   LIG    1        5.958  -0.948  -0.489  0.00  0.00    +0.067 A 
BRANCH  26  33
ATOM     32  C   LIG    1        7.342   1.713  -2.489  0.00  0.00    +0.279 C 
ATOM     33  O   LIG    1        7.250   0.426  -1.886  0.00  0.00    -0.480 OA
ENDBRANCH  26  33
ENDBRANCH  23  29
ENDBRANCH  19  23
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6