REMARK  Name = BDB006110
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.335  -0.137  -0.370  0.00  0.00    +0.146 C 
ATOM      2  N   LIG    1       -1.828   0.176  -1.751  0.00  0.00    -0.252 N 
ATOM      3  C   LIG    1       -0.794   0.635  -2.608  0.00  0.00    +0.272 C 
ATOM      4  O   LIG    1       -0.845   0.962  -3.783  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        0.392   0.618  -1.783  0.00  0.00    +0.153 A 
ATOM      6  N   LIG    1        1.670   0.911  -1.973  0.00  0.00    -0.166 NA
ATOM      7  N   LIG    1        2.235   0.644  -0.758  0.00  0.00    -0.263 N 
ATOM      8  C   LIG    1        1.314   0.197   0.191  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        0.114   0.187  -0.495  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -2.165  -1.165   2.374  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -2.248   0.292   1.997  0.00  0.00    -0.044 A 
ATOM     12  C   LIG    1       -1.880   0.783   0.719  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1       -2.027   2.168   0.468  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -2.531   3.037   1.438  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -2.902   2.539   2.678  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -3.530   3.602   3.875  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -2.769   1.181   2.957  0.00  0.00    +0.023 A 
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1       -3.197   0.009  -2.136  0.00  0.00    +0.074 A 
ATOM     19  C   LIG    1       -4.103  -0.746  -1.370  0.00  0.00    +0.163 A 
ATOM     20  F   LIG    1       -3.682  -1.406  -0.281  0.00  0.00    -0.202 F 
ATOM     21  C   LIG    1       -5.445  -0.879  -1.742  0.00  0.00    +0.078 A 
ATOM     22 CL   LIG    1       -6.527  -1.816  -0.783  0.00  0.00    -0.081 Cl
ATOM     23  C   LIG    1       -5.919  -0.265  -2.896  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -5.043   0.479  -3.678  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -3.699   0.612  -3.301  0.00  0.00    +0.026 A 
ENDBRANCH   2  18
BRANCH   8  26
ATOM     26  C   LIG    1        1.573  -0.207   1.618  0.00  0.00    +0.032 C 
ATOM     27  C   LIG    1        2.071  -1.647   1.720  0.00  0.00    +0.014 C 
ATOM     28  C   LIG    1        2.444   0.754   2.418  0.00  0.00    +0.014 C 
ENDBRANCH   8  26
BRANCH   7  29
ATOM     29  C   LIG    1        3.671   0.888  -0.643  0.00  0.00    +0.180 C 
BRANCH  29  30
ATOM     30  C   LIG    1        4.497  -0.365  -0.696  0.00  0.00    -0.008 A 
ATOM     31  C   LIG    1        4.283  -1.347  -1.661  0.00  0.00    +0.116 A 
ATOM     32  N   LIG    1        5.013  -2.481  -1.764  0.00  0.00    -0.263 NA
ATOM     33  C   LIG    1        6.021  -2.642  -0.882  0.00  0.00    +0.111 A 
ATOM     34  C   LIG    1        6.336  -1.717   0.098  0.00  0.00    +0.020 A 
ATOM     35  C   LIG    1        5.567  -0.561   0.186  0.00  0.00    +0.008 A 
ENDBRANCH  29  30
ENDBRANCH   7  29
TORSDOF 5