REMARK  Name = BDB006124
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.505   0.323   0.684  0.00  0.00    +0.048 A 
ATOM      2  N   LIG    1       -2.166  -0.769   1.241  0.00  0.00    -0.260 N 
ATOM      3  N   LIG    1       -1.574  -1.969   0.959  0.00  0.00    -0.166 NA
ATOM      4  C   LIG    1       -0.490  -1.603   0.283  0.00  0.00    +0.153 A 
ATOM      5  C   LIG    1        0.600  -2.307  -0.358  0.00  0.00    +0.272 C 
ATOM      6  N   LIG    1        1.389  -1.281  -0.940  0.00  0.00    -0.252 N 
ATOM      7  C   LIG    1        0.854   0.086  -0.656  0.00  0.00    +0.146 C 
ATOM      8  O   LIG    1        0.743  -3.518  -0.391  0.00  0.00    -0.268 OA
ATOM      9  C   LIG    1       -0.377  -0.228   0.116  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        2.574  -1.494  -1.715  0.00  0.00    +0.074 A 
ATOM     11  C   LIG    1        3.138  -0.482  -2.514  0.00  0.00    +0.163 A 
ATOM     12  F   LIG    1        2.530   0.709  -2.632  0.00  0.00    -0.202 F 
ATOM     13  C   LIG    1        4.310  -0.696  -3.248  0.00  0.00    +0.078 A 
ATOM     14 CL   LIG    1        4.973   0.563  -4.221  0.00  0.00    -0.081 Cl
ATOM     15  C   LIG    1        4.950  -1.929  -3.208  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        4.409  -2.950  -2.434  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1        3.235  -2.733  -1.699  0.00  0.00    +0.026 A 
ENDBRANCH   6  10
BRANCH   7  18
ATOM     18  C   LIG    1        1.742   0.904   0.268  0.00  0.00    -0.022 A 
ATOM     19  C   LIG    1        2.070   2.226  -0.083  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1        2.891   3.007   0.735  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        3.398   2.474   1.917  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1        4.407   3.434   2.926  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1        3.095   1.166   2.284  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        2.276   0.385   1.464  0.00  0.00    +0.007 A 
ENDBRANCH   7  18
BRANCH   1  26
ATOM     25  C   LIG    1       -1.848   2.478  -0.566  0.00  0.00    +0.014 C 
ATOM     26  C   LIG    1       -2.030   1.731   0.756  0.00  0.00    +0.032 C 
ATOM     27  C   LIG    1       -1.389   2.496   1.912  0.00  0.00    +0.014 C 
ENDBRANCH   1  26
BRANCH   2  28
ATOM     28  C   LIG    1       -3.399  -0.780   2.023  0.00  0.00    +0.217 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -4.564  -1.087   1.150  0.00  0.00    +0.129 A 
ATOM     30  N   LIG    1       -4.591  -2.192   0.330  0.00  0.00    -0.347 N 
ATOM     31  H   LIG    1       -3.829  -2.853   0.224  0.00  0.00    +0.167 HD
ATOM     32  C   LIG    1       -5.788  -2.193  -0.327  0.00  0.00    +0.104 A 
ATOM     33  C   LIG    1       -6.450  -1.080   0.132  0.00  0.00    +0.130 A 
ATOM     34  N   LIG    1       -5.686  -0.401   1.046  0.00  0.00    -0.239 NA
ENDBRANCH  28  29
ENDBRANCH   2  28
TORSDOF 5