REMARK  Name = BDB045647
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.620   0.399   0.602  0.00  0.00    +0.017 A 
ATOM      2  C   LIG    1        2.065  -0.886   0.536  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        0.678  -1.075   0.529  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -0.201   0.016   0.585  0.00  0.00    -0.018 A 
ATOM      5  C   LIG    1        0.359   1.302   0.646  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        1.748   1.493   0.654  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        7.489  -0.403   0.281  0.00  0.00    +0.064 A 
ATOM      8  C   LIG    1        6.205   0.142   0.466  0.00  0.00    +0.102 A 
ATOM      9  C   LIG    1        6.099   1.477   0.848  0.00  0.00    +0.067 A 
ATOM     10  N   LIG    1        4.749   1.698   0.947  0.00  0.00    -0.338 N 
ATOM     11  H   LIG    1        4.318   2.562   1.237  0.00  0.00    +0.167 HD
ATOM     12  C   LIG    1        4.079   0.545   0.607  0.00  0.00    +0.139 A 
ATOM     13  C   LIG    1        7.200   2.311   1.062  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        8.467   1.751   0.872  0.00  0.00    +0.003 A 
ATOM     15  N   LIG    1        4.950  -0.401   0.309  0.00  0.00    -0.227 NA
ATOM     16  C   LIG    1        8.616   0.416   0.488  0.00  0.00    +0.015 A 
BRANCH   7  20
ATOM     17  N   LIG    1        8.588  -2.066  -1.077  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1        8.592  -3.012  -1.438  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1        8.907  -1.331  -1.692  0.00  0.00    +0.145 HD
ATOM     20  C   LIG    1        7.657  -1.818  -0.103  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1        7.026  -2.730   0.409  0.00  0.00    -0.270 OA
ENDBRANCH   7  20
ENDBRANCH   1  12
BRANCH   4  22
ATOM     22  C   LIG    1       -1.661  -0.179   0.572  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1       -2.277  -0.966  -0.419  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1       -3.662  -1.152  -0.435  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1       -4.453  -0.538   0.537  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1       -3.863   0.225   1.546  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1       -2.477   0.407   1.556  0.00  0.00    +0.009 A 
BRANCH  25  28
ATOM     28  C   LIG    1       -5.917  -0.734   0.556  0.00  0.00    +0.247 C 
ATOM     29  N   LIG    1       -6.653  -0.268  -0.517  0.00  0.00    -0.298 N 
ATOM     30  C   LIG    1       -6.189   0.583  -1.604  0.00  0.00    +0.108 C 
ATOM     31  C   LIG    1       -7.408   0.748  -2.500  0.00  0.00    +0.020 C 
ATOM     32  C   LIG    1       -8.566   0.674  -1.515  0.00  0.00    +0.020 C 
ATOM     33  C   LIG    1       -8.102  -0.381  -0.521  0.00  0.00    +0.108 C 
ATOM     34  O   LIG    1       -6.416  -1.282   1.535  0.00  0.00    -0.270 OA
ENDBRANCH  25  28
ENDBRANCH   4  22
TORSDOF 4