REMARK  Name = BDB011175
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.453   4.314   0.145  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1        0.345   3.201   0.479  0.00  0.00    +0.114 A 
ATOM      3  N   LIG    1        1.428   3.367   1.269  0.00  0.00    -0.250 NA
ATOM      4  C   LIG    1        2.248   2.324   1.493  0.00  0.00    +0.127 A 
ATOM      5  C   LIG    1        1.985   1.058   1.023  0.00  0.00    +0.082 A 
ATOM      6  C   LIG    1        0.803   0.812   0.347  0.00  0.00    +0.070 A 
ATOM      7  N   LIG    1        0.490  -0.569   0.135  0.00  0.00    -0.289 N 
ATOM      8  C   LIG    1        1.530  -1.530   0.056  0.00  0.00    +0.337 A 
ATOM      9  O   LIG    1        1.248  -2.719  -0.119  0.00  0.00    -0.246 OA
ATOM     10  N   LIG    1        2.829  -1.053   0.267  0.00  0.00    -0.228 N 
ATOM     11  C   LIG    1        2.959  -0.018   1.185  0.00  0.00    +0.270 A 
ATOM     12  O   LIG    1        3.780   0.088   2.091  0.00  0.00    -0.266 OA
ATOM     13  C   LIG    1        0.011   1.926  -0.048  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -1.035   1.857  -0.996  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -1.802   2.969  -1.331  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -1.525   4.194  -0.744  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   7  17
ATOM     17  C   LIG    1       -0.864  -1.128   0.396  0.00  0.00    +0.095 C 
ATOM     18  C   LIG    1       -1.801  -0.355   1.337  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -3.037  -1.202   1.633  0.00  0.00    +0.110 C 
ATOM     20  N   LIG    1       -3.670  -1.743   0.431  0.00  0.00    -0.302 N 
ATOM     21  C   LIG    1       -4.867  -2.427   0.604  0.00  0.00    +0.212 C 
ATOM     22  O   LIG    1       -5.354  -2.626   1.718  0.00  0.00    -0.276 OA
ATOM     23  C   LIG    1       -5.565  -2.933  -0.631  0.00  0.00    +0.109 C 
ATOM     24  C   LIG    1       -3.073  -1.412  -0.860  0.00  0.00    +0.110 C 
ATOM     25  C   LIG    1       -1.564  -1.649  -0.873  0.00  0.00    +0.044 C 
ENDBRANCH   7  17
BRANCH  10  26
ATOM     26  C   LIG    1        3.989  -1.840  -0.131  0.00  0.00    +0.056 A 
ATOM     27  C   LIG    1        5.294  -1.506   0.277  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1        6.407  -2.244  -0.145  0.00  0.00    +0.043 A 
ATOM     29 CL   LIG    1        7.982  -1.800   0.395  0.00  0.00    -0.083 Cl
ATOM     30  C   LIG    1        6.261  -3.324  -1.004  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        4.992  -3.656  -1.457  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1        3.878  -2.915  -1.035  0.00  0.00    +0.026 A 
ENDBRANCH  10  26
BRANCH   1  34
ATOM     33  C   LIG    1       -0.878   6.655   0.473  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1       -0.085   5.506   0.734  0.00  0.00    -0.493 OA
ENDBRANCH   1  34
TORSDOF 3