REMARK  Name = BDB006176
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.222   0.565   0.150  0.00  0.00    -0.232 N 
ATOM      2  C   LIG    1       -1.208   0.105  -0.712  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -0.053   0.654  -0.198  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1        1.404   0.778  -0.430  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1        1.805   1.689   0.674  0.00  0.00    -0.252 N 
ATOM      6  C   LIG    1        0.697   2.166   1.423  0.00  0.00    +0.272 C 
ATOM      7  O   LIG    1        0.652   3.020   2.293  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -0.438   1.466   0.856  0.00  0.00    +0.154 A 
ATOM      9  N   LIG    1       -1.745   1.470   1.066  0.00  0.00    -0.161 NA
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        3.159   2.081   0.886  0.00  0.00    +0.074 A 
ATOM     11  C   LIG    1        3.636   2.474   2.148  0.00  0.00    +0.163 A 
ATOM     12  F   LIG    1        2.853   2.372   3.233  0.00  0.00    -0.202 F 
ATOM     13  C   LIG    1        4.966   2.866   2.326  0.00  0.00    +0.078 A 
ATOM     14 CL   LIG    1        5.545   3.331   3.882  0.00  0.00    -0.081 Cl
ATOM     15  C   LIG    1        5.852   2.861   1.252  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        5.409   2.444   0.001  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1        4.078   2.050  -0.178  0.00  0.00    +0.026 A 
ENDBRANCH   5  10
BRANCH   4  18
ATOM     18  C   LIG    1        1.976  -0.620  -0.344  0.00  0.00    -0.022 A 
ATOM     19  C   LIG    1        2.395  -1.267  -1.519  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1        2.926  -2.558  -1.476  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        3.061  -3.230  -0.258  0.00  0.00    -0.050 A 
ATOM     22  C   LIG    1        3.599  -4.630  -0.215  0.00  0.00    +0.044 C 
ATOM     23  C   LIG    1        2.632  -2.601   0.915  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        2.101  -1.310   0.874  0.00  0.00    +0.006 A 
ENDBRANCH   4  18
BRANCH   1  26
ATOM     25  C   LIG    1       -4.606   1.081   0.320  0.00  0.00    +0.145 A 
ATOM     26  C   LIG    1       -3.567   0.144   0.256  0.00  0.00    +0.107 A 
ATOM     27  C   LIG    1       -3.852  -1.221   0.383  0.00  0.00    +0.031 A 
ATOM     28  C   LIG    1       -5.173  -1.648   0.526  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -6.211  -0.717   0.547  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -5.929   0.646   0.441  0.00  0.00    +0.048 A 
BRANCH  25  32
ATOM     31  C   LIG    1       -4.547   3.148   1.333  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1       -4.364   2.415   0.120  0.00  0.00    -0.493 OA
ENDBRANCH  25  32
ENDBRANCH   1  26
BRANCH   2  33
ATOM     33  C   LIG    1       -1.365  -0.673  -1.995  0.00  0.00    +0.032 C 
ATOM     34  C   LIG    1       -2.550  -0.232  -2.852  0.00  0.00    +0.014 C 
ATOM     35  C   LIG    1       -1.331  -2.186  -1.805  0.00  0.00    +0.014 C 
ENDBRANCH   2  33
TORSDOF 5