REMARK  Name = BDB006726
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.612   1.784  -1.564  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -3.105   0.530  -0.959  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1       -1.787   0.163  -0.675  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -0.385   0.607  -0.763  0.00  0.00    +0.149 C 
ATOM      5  N   LIG    1        0.336  -0.594  -0.202  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1       -0.586  -1.614   0.188  0.00  0.00    +0.270 C 
ATOM      7  O   LIG    1       -0.381  -2.710   0.678  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -1.862  -1.083  -0.136  0.00  0.00    +0.130 A 
ATOM      9  N   LIG    1       -3.162  -1.434  -0.086  0.00  0.00    -0.256 N 
ATOM     10  N   LIG    1       -3.956  -0.447  -0.589  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        1.729  -0.668  -0.145  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        2.527   0.284  -0.676  0.00  0.00    +0.118 A 
ATOM     13  N   LIG    1        3.911   0.167  -0.589  0.00  0.00    -0.285 N 
ATOM     14  C   LIG    1        4.556  -0.892   0.021  0.00  0.00    +0.164 A 
ATOM     15  N   LIG    1        5.857  -0.719  -0.059  0.00  0.00    -0.129 NA
ATOM     16  N   LIG    1        6.087   0.462  -0.725  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1        3.755  -1.924   0.600  0.00  0.00    -0.004 A 
ATOM     18  C   LIG    1        4.362  -3.117   1.294  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1        4.921   0.990  -1.041  0.00  0.00    +0.135 A 
ATOM     20  C   LIG    1        4.701   2.263  -1.762  0.00  0.00    +0.088 C 
ATOM     21  C   LIG    1        2.408  -1.797   0.509  0.00  0.00    +0.032 A 
ENDBRANCH   5  11
BRANCH   4  22
ATOM     22  C   LIG    1       -0.290   1.856   0.083  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1       -0.219   3.100  -0.557  0.00  0.00    +0.130 A 
ATOM     24  F   LIG    1       -0.220   3.153  -1.897  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1       -0.137   4.291   0.156  0.00  0.00    +0.058 A 
ATOM     26  C   LIG    1       -0.126   4.249   1.546  0.00  0.00    +0.044 A 
ATOM     27 CL   LIG    1       -0.024   5.711   2.443  0.00  0.00    -0.083 Cl
ATOM     28  C   LIG    1       -0.197   3.028   2.215  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -0.280   1.836   1.488  0.00  0.00    +0.010 A 
ENDBRANCH   4  22
BRANCH   9  30
ATOM     30  C   LIG    1       -3.740  -2.675   0.412  0.00  0.00    +0.102 C 
ATOM     31  C   LIG    1       -4.658  -2.421   1.607  0.00  0.00    +0.032 C 
ATOM     32  C   LIG    1       -4.467  -3.436  -0.697  0.00  0.00    +0.032 C 
ENDBRANCH   9  30
TORSDOF 3