REMARK  Name = BDB061083
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.701   0.750  -2.329  0.00  0.00    -0.273 OA
ATOM      2  C   LIG    1       -4.026   1.087  -1.352  0.00  0.00    +0.240 C 
ATOM      3  C   LIG    1       -2.566   0.688  -1.244  0.00  0.00    +0.217 C 
ATOM      4  C   LIG    1       -2.098  -0.486  -0.348  0.00  0.00    +0.148 C 
ATOM      5  N   LIG    1       -0.690  -0.065  -0.173  0.00  0.00    -0.254 N 
ATOM      6  C   LIG    1       -0.648   1.282  -0.418  0.00  0.00    +0.186 C 
ATOM      7  C   LIG    1        0.101  -0.794   0.678  0.00  0.00    +0.189 C 
ATOM      8  N   LIG    1       -0.353  -1.473   1.693  0.00  0.00    -0.226 NA
ATOM      9  C   LIG    1       -1.702  -1.361   1.919  0.00  0.00    +0.120 C 
ATOM     10  C   LIG    1       -2.597  -0.875   1.032  0.00  0.00    +0.002 C 
ATOM     11  C   LIG    1       -3.991  -0.824   1.342  0.00  0.00    -0.007 A 
ATOM     12  C   LIG    1       -4.726   0.344   1.407  0.00  0.00    +0.014 A 
ATOM     13  S   LIG    1       -6.334   0.055   1.933  0.00  0.00    -0.099 S 
ATOM     14  C   LIG    1       -6.061  -1.626   2.055  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1       -4.310   1.725   1.017  0.00  0.00    +0.147 C 
ATOM     16  C   LIG    1       -4.770  -1.963   1.719  0.00  0.00    +0.016 A 
ATOM     17  N   LIG    1       -1.680   1.876  -0.941  0.00  0.00    -0.261 NA
ATOM     18  N   LIG    1       -4.629   1.837  -0.384  0.00  0.00    -0.309 N 
ATOM     19  H   LIG    1       -5.607   1.985  -0.598  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   7  20
ATOM     20  N   LIG    1        1.448  -0.759   0.465  0.00  0.00    -0.312 N 
ATOM     21  H   LIG    1        1.909  -1.385   1.123  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.030  -0.846  -0.863  0.00  0.00    +0.142 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.527  -0.782  -0.775  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        4.203   0.339  -0.301  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        3.675   1.610   0.252  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1        4.966   2.430   0.265  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1        6.097   1.529   0.283  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1        5.590   0.361  -0.222  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1        6.367  -0.714  -0.604  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1        5.714  -1.844  -1.095  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1        4.315  -1.868  -1.179  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1        3.726  -2.975  -1.655  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   7  20
TORSDOF 3