REMARK  Name = BDB010752
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.135   2.507   0.629  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -5.021   1.998   0.576  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -4.846   0.584   0.216  0.00  0.00    +0.052 A 
ATOM      4  C   LIG    1       -3.560   0.069   0.173  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1       -3.323  -1.268  -0.164  0.00  0.00    +0.049 A 
ATOM      6  N   LIG    1       -2.017  -1.769  -0.143  0.00  0.00    -0.357 N 
ATOM      7  H   LIG    1       -1.843  -2.670  -0.574  0.00  0.00    +0.166 HD
ATOM      8  C   LIG    1       -0.931  -0.943   0.091  0.00  0.00    +0.036 A 
ATOM      9  C   LIG    1        0.456  -1.562  -0.029  0.00  0.00    +0.138 C 
ATOM     10  N   LIG    1        1.551  -0.587  -0.164  0.00  0.00    -0.292 NA
ATOM     11  C   LIG    1        1.423   0.455   0.868  0.00  0.00    +0.090 C 
ATOM     12  C   LIG    1        0.121   1.247   0.684  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1       -1.060   0.363   0.407  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -4.418  -2.094  -0.433  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -5.720  -1.580  -0.395  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1       -2.430   0.962   0.484  0.00  0.00    +0.099 A 
ATOM     17  N   LIG    1       -2.595   2.212   0.804  0.00  0.00    -0.171 NA
ATOM     18  C   LIG    1       -5.937  -0.239  -0.072  0.00  0.00    +0.014 A 
ATOM     19  N   LIG    1       -3.869   2.701   0.848  0.00  0.00    -0.242 N 
ATOM     20  H   LIG    1       -3.967   3.681   1.095  0.00  0.00    +0.192 HD
ENDROOT
BRANCH  10  21
ATOM     21  C   LIG    1        2.850  -1.275  -0.092  0.00  0.00    +0.120 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.019  -0.404  -0.506  0.00  0.00    -0.033 A 
ATOM     23  C   LIG    1        4.023   0.240  -1.752  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        5.107   1.028  -2.141  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        6.201   1.176  -1.292  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.213   0.536  -0.053  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.128  -0.252   0.338  0.00  0.00    +0.005 A 
ENDBRANCH  21  22
ENDBRANCH  10  21
TORSDOF 2