REMARK  Name = BDB063851
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.086   0.821  -3.861  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.968   0.628  -2.668  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        2.022   0.396  -1.646  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        3.323   0.378  -1.962  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        1.431   0.236  -0.412  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1        0.154   0.347  -0.637  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -0.169   0.572  -1.929  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.080   0.696  -2.325  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        4.449   0.167  -1.036  0.00  0.00    -0.021 A 
ATOM     10  C   LIG    1        4.376  -0.734   0.040  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1        5.500  -0.919   0.859  0.00  0.00    +0.089 A 
ATOM     12  C   LIG    1        6.667  -0.215   0.583  0.00  0.00    +0.066 A 
ATOM     13  N   LIG    1        7.545  -0.622   1.554  0.00  0.00    -0.344 N 
ATOM     14  H   LIG    1        8.498  -0.309   1.661  0.00  0.00    +0.167 HD
ATOM     15  C   LIG    1        6.904  -1.528   2.350  0.00  0.00    +0.197 A 
ATOM     16  C   LIG    1        6.787   0.678  -0.481  0.00  0.00    +0.028 A 
ATOM     17  N   LIG    1        5.668  -1.732   1.956  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        5.653   0.847  -1.288  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  19
ATOM     19  N   LIG    1       -0.753   0.242   0.364  0.00  0.00    -0.311 N 
ATOM     20  H   LIG    1       -0.308   0.007   1.248  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.201   0.133   0.340  0.00  0.00    +0.035 C 
ATOM     22  C   LIG    1       -2.688  -0.108   1.796  0.00  0.00    +0.029 C 
ATOM     23  C   LIG    1       -4.220  -0.229   1.847  0.00  0.00    -0.008 C 
ATOM     24  C   LIG    1       -4.847   1.068   1.314  0.00  0.00    +0.007 C 
ATOM     25  C   LIG    1       -4.389   1.316  -0.132  0.00  0.00    -0.008 C 
ATOM     26  C   LIG    1       -4.822   0.130  -1.011  0.00  0.00    +0.007 C 
ATOM     27  C   LIG    1       -4.203  -1.177  -0.484  0.00  0.00    -0.008 C 
ATOM     28  C   LIG    1       -4.662  -1.407   0.964  0.00  0.00    +0.007 C 
ATOM     29  C   LIG    1       -2.855   1.438  -0.165  0.00  0.00    +0.029 C 
ATOM     30  C   LIG    1       -2.668  -1.062  -0.520  0.00  0.00    +0.029 C 
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 3