REMARK  Name = BDB063442
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.937   0.141   0.616  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -1.793   0.779   1.525  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1       -3.172   0.861   1.295  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1       -3.747   0.306   0.146  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1       -2.898  -0.330  -0.766  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -1.515  -0.408  -0.530  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -5.197   0.415  -0.054  0.00  0.00    +0.139 A 
ATOM      8  N   LIG    1       -5.882  -0.117  -1.125  0.00  0.00    -0.338 N 
ATOM      9  H   LIG    1       -5.471  -0.636  -1.885  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1       -7.216   0.172  -0.990  0.00  0.00    +0.069 A 
ATOM     11  C   LIG    1       -7.289   0.890   0.198  0.00  0.00    +0.092 A 
ATOM     12  C   LIG    1       -8.530   1.355   0.653  0.00  0.00    +0.071 A 
ATOM     13  C   LIG    1       -9.656   1.070  -0.120  0.00  0.00    +0.161 A 
ATOM     14  C   LIG    1       -9.558   0.348  -1.308  0.00  0.00    +0.160 A 
ATOM     15  F   LIG    1      -10.662   0.093  -2.025  0.00  0.00    -0.202 F 
ATOM     16  F   LIG    1      -10.855   1.504   0.296  0.00  0.00    -0.202 F 
ATOM     17  C   LIG    1       -8.331  -0.123  -1.778  0.00  0.00    +0.069 A 
ATOM     18  N   LIG    1       -6.045   1.028   0.756  0.00  0.00    -0.228 NA
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  N   LIG    1        0.430   0.096   0.902  0.00  0.00    -0.284 N 
ATOM     20  H   LIG    1        0.730   0.516   1.769  0.00  0.00    +0.155 HD
BRANCH  19  23
ATOM     21  C   LIG    1        3.843  -0.724   0.344  0.00  0.00    +0.130 A 
ATOM     22  N   LIG    1        2.706  -0.258   0.901  0.00  0.00    -0.199 NA
ATOM     23  C   LIG    1        1.542  -0.433   0.252  0.00  0.00    +0.221 A 
ATOM     24  N   LIG    1        1.444  -1.060  -0.925  0.00  0.00    -0.223 NA
ATOM     25  C   LIG    1        2.579  -1.538  -1.457  0.00  0.00    +0.118 A 
ATOM     26  C   LIG    1        3.807  -1.399  -0.863  0.00  0.00    +0.064 A 
BRANCH  21  28
ATOM     27  C   LIG    1        4.962   0.088   2.320  0.00  0.00    +0.137 C 
ATOM     28  N   LIG    1        5.090  -0.569   1.013  0.00  0.00    -0.288 N 
BRANCH  28  29
ATOM     29  C   LIG    1        6.319  -0.251   0.381  0.00  0.00    +0.035 A 
ATOM     30  C   LIG    1        7.515  -0.807   0.865  0.00  0.00    +0.025 A 
ATOM     31  C   LIG    1        8.741  -0.513   0.263  0.00  0.00    +0.022 A 
ATOM     32  C   LIG    1        8.784   0.347  -0.831  0.00  0.00    +0.041 A 
ATOM     33 CL   LIG    1       10.291   0.712  -1.575  0.00  0.00    -0.084 Cl
ATOM     34  C   LIG    1        7.612   0.914  -1.325  0.00  0.00    +0.022 A 
ATOM     35  C   LIG    1        6.387   0.616  -0.721  0.00  0.00    +0.025 A 
ENDBRANCH  28  29
ENDBRANCH  21  28
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 5