REMARK  Name = BDB045663
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.580  -0.288   0.215  0.00  0.00    +0.017 A 
ATOM      2  C   LIG    1        1.736  -1.389   0.402  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        0.351  -1.216   0.538  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -0.232   0.061   0.493  0.00  0.00    -0.016 A 
ATOM      5  C   LIG    1        0.618   1.160   0.309  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        2.000   0.987   0.172  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        7.415   0.641  -0.254  0.00  0.00    +0.064 A 
ATOM      8  C   LIG    1        6.144   0.046  -0.146  0.00  0.00    +0.102 A 
ATOM      9  C   LIG    1        6.056  -1.343  -0.179  0.00  0.00    +0.067 A 
ATOM     10  N   LIG    1        4.714  -1.603  -0.058  0.00  0.00    -0.338 N 
ATOM     11  H   LIG    1        4.296  -2.520  -0.067  0.00  0.00    +0.167 HD
ATOM     12  C   LIG    1        4.035  -0.413   0.067  0.00  0.00    +0.139 A 
ATOM     13  C   LIG    1        7.162  -2.187  -0.314  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        8.416  -1.576  -0.417  0.00  0.00    +0.003 A 
ATOM     15  N   LIG    1        4.891   0.590   0.024  0.00  0.00    -0.227 NA
ATOM     16  C   LIG    1        8.547  -0.186  -0.389  0.00  0.00    +0.015 A 
BRANCH   7  20
ATOM     17  N   LIG    1        8.589   2.605   0.513  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1        9.015   2.048   1.240  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1        8.592   3.610   0.631  0.00  0.00    +0.145 HD
ATOM     20  C   LIG    1        7.560   2.109  -0.245  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1        6.829   2.858  -0.876  0.00  0.00    -0.270 OA
ENDBRANCH   7  20
ENDBRANCH   1  12
BRANCH   4  22
ATOM     22  C   LIG    1       -1.683   0.240   0.638  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -2.596  -0.463  -0.150  0.00  0.00    +0.120 A 
ATOM     24  N   LIG    1       -3.945  -0.354  -0.067  0.00  0.00    -0.250 NA
ATOM     25  C   LIG    1       -4.436   0.515   0.852  0.00  0.00    +0.126 A 
ATOM     26  C   LIG    1       -3.613   1.262   1.690  0.00  0.00    +0.033 A 
ATOM     27  C   LIG    1       -2.229   1.123   1.576  0.00  0.00    +0.012 A 
BRANCH  25  28
ATOM     28  C   LIG    1       -5.927   0.652   1.004  0.00  0.00    +0.265 C 
ATOM     29  N   LIG    1       -6.788   0.187   0.019  0.00  0.00    -0.296 N 
ATOM     30  C   LIG    1       -6.451  -0.337  -1.297  0.00  0.00    +0.108 C 
ATOM     31  C   LIG    1       -7.773  -0.337  -2.056  0.00  0.00    +0.020 C 
ATOM     32  C   LIG    1       -8.801  -0.540  -0.952  0.00  0.00    +0.020 C 
ATOM     33  C   LIG    1       -8.226   0.279   0.193  0.00  0.00    +0.108 C 
ATOM     34  O   LIG    1       -6.364   1.192   2.024  0.00  0.00    -0.268 OA
ENDBRANCH  25  28
ENDBRANCH   4  22
TORSDOF 4