REMARK  Name = BDB006720
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.794  -1.438   0.055  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -3.646  -1.738  -0.833  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1       -2.298  -1.408  -0.667  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -1.322  -0.753   0.225  0.00  0.00    +0.149 C 
ATOM      5  N   LIG    1       -0.038  -0.980  -0.524  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1       -0.272  -1.681  -1.749  0.00  0.00    +0.270 C 
ATOM      7  O   LIG    1        0.514  -2.050  -2.604  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -1.669  -1.913  -1.760  0.00  0.00    +0.126 A 
ATOM      9  N   LIG    1       -2.593  -2.496  -2.542  0.00  0.00    -0.272 N 
ATOM     10  H   LIG    1       -2.479  -2.965  -3.436  0.00  0.00    +0.189 HD
ATOM     11  N   LIG    1       -3.830  -2.411  -1.988  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        1.211  -0.578  -0.054  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1        2.342  -0.673  -0.783  0.00  0.00    +0.118 A 
ATOM     14  N   LIG    1        3.554  -0.240  -0.259  0.00  0.00    -0.285 N 
ATOM     15  C   LIG    1        3.693   0.302   1.005  0.00  0.00    +0.164 A 
ATOM     16  N   LIG    1        4.953   0.616   1.214  0.00  0.00    -0.129 NA
ATOM     17  N   LIG    1        5.663   0.285   0.084  0.00  0.00    -0.134 NA
ATOM     18  C   LIG    1        2.526   0.418   1.822  0.00  0.00    -0.004 A 
ATOM     19  C   LIG    1        2.580   0.986   3.217  0.00  0.00    +0.047 C 
ATOM     20  C   LIG    1        4.824  -0.226  -0.795  0.00  0.00    +0.135 A 
ATOM     21  C   LIG    1        5.160  -0.717  -2.150  0.00  0.00    +0.088 C 
ATOM     22  C   LIG    1        1.350  -0.011   1.299  0.00  0.00    +0.032 A 
ENDBRANCH   5  12
BRANCH   4  23
ATOM     23  C   LIG    1       -1.773   0.684   0.359  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1       -1.602   1.635  -0.658  0.00  0.00    +0.130 A 
ATOM     25  F   LIG    1       -1.016   1.293  -1.814  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1       -2.032   2.951  -0.511  0.00  0.00    +0.058 A 
ATOM     27  C   LIG    1       -2.652   3.337   0.671  0.00  0.00    +0.044 A 
ATOM     28 CL   LIG    1       -3.188   4.959   0.865  0.00  0.00    -0.083 Cl
ATOM     29  C   LIG    1       -2.844   2.417   1.699  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -2.409   1.098   1.545  0.00  0.00    +0.010 A 
ENDBRANCH   4  23
TORSDOF 2