REMARK  Name = BDB006120
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.849   0.035  -0.726  0.00  0.00    -0.267 N 
ATOM      2  C   LIG    1        0.896  -0.325   0.222  0.00  0.00    +0.048 A 
ATOM      3  C   LIG    1       -0.240   0.338  -0.187  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -1.668   0.591   0.138  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1       -2.040   1.606  -0.893  0.00  0.00    -0.252 N 
ATOM      6  C   LIG    1       -0.970   1.899  -1.780  0.00  0.00    +0.272 C 
ATOM      7  O   LIG    1       -0.932   2.669  -2.726  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        0.129   1.092  -1.295  0.00  0.00    +0.153 A 
ATOM      9  N   LIG    1        1.396   0.920  -1.651  0.00  0.00    -0.166 NA
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -3.343   2.197  -0.953  0.00  0.00    +0.074 A 
ATOM     11  C   LIG    1       -4.254   2.111   0.116  0.00  0.00    +0.163 A 
ATOM     12  F   LIG    1       -3.897   1.519   1.268  0.00  0.00    -0.202 F 
ATOM     13  C   LIG    1       -5.532   2.674   0.037  0.00  0.00    +0.078 A 
ATOM     14 CL   LIG    1       -6.623   2.551   1.366  0.00  0.00    -0.081 Cl
ATOM     15  C   LIG    1       -5.936   3.345  -1.111  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -5.052   3.454  -2.179  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1       -3.772   2.888  -2.098  0.00  0.00    +0.026 A 
ENDBRANCH   5  10
BRANCH   4  18
ATOM     18  C   LIG    1       -2.389  -0.737  -0.030  0.00  0.00    -0.019 A 
ATOM     19  C   LIG    1       -2.480  -1.396  -1.273  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1       -3.161  -2.606  -1.382  0.00  0.00    +0.159 A 
ATOM     21  F   LIG    1       -3.228  -3.216  -2.573  0.00  0.00    -0.202 F 
ATOM     22  C   LIG    1       -3.766  -3.177  -0.271  0.00  0.00    +0.158 A 
ATOM     23  F   LIG    1       -4.421  -4.341  -0.380  0.00  0.00    -0.202 F 
ATOM     24  C   LIG    1       -3.701  -2.544   0.964  0.00  0.00    +0.041 A 
ATOM     25  C   LIG    1       -3.018  -1.330   1.083  0.00  0.00    +0.009 A 
ENDBRANCH   4  18
BRANCH   2  26
ATOM     26  C   LIG    1        1.184  -1.239   1.381  0.00  0.00    +0.032 C 
ATOM     27  C   LIG    1        0.554  -0.733   2.679  0.00  0.00    +0.014 C 
ATOM     28  C   LIG    1        0.744  -2.670   1.077  0.00  0.00    +0.014 C 
ENDBRANCH   2  26
BRANCH   1  29
ATOM     29  C   LIG    1        3.231  -0.413  -0.826  0.00  0.00    +0.144 C 
BRANCH  29  30
ATOM     30  C   LIG    1        4.181   0.495  -0.044  0.00  0.00    +0.026 C 
BRANCH  30  32
ATOM     31  C   LIG    1        6.548   1.152   0.478  0.00  0.00    +0.007 C 
ATOM     32  C   LIG    1        5.661   0.106  -0.200  0.00  0.00    -0.015 C 
ATOM     33  C   LIG    1        5.962  -1.278   0.377  0.00  0.00    +0.007 C 
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH   1  29
TORSDOF 6