REMARK  Name = BDB031264
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.150  -1.831  -0.817  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        2.843  -2.303  -0.998  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.769  -1.427  -0.776  0.00  0.00    +0.091 A 
ATOM      4  N   LIG    1        0.435  -1.690  -0.867  0.00  0.00    -0.227 NA
ATOM      5  C   LIG    1       -0.188  -0.558  -0.591  0.00  0.00    +0.146 A 
ATOM      6  N   LIG    1        0.729   0.445  -0.249  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1        2.000  -0.110  -0.392  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1        3.302   0.361  -0.151  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        4.367  -0.519  -0.380  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        0.439   1.768   0.203  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1       -0.631   1.985   1.088  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -0.858   3.285   1.477  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1       -0.076   4.347   1.029  0.00  0.00    +0.067 A 
ATOM     14  N   LIG    1       -0.566   5.513   1.604  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1       -0.222   6.451   1.481  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1       -1.661   5.188   2.418  0.00  0.00    +0.325 A 
ATOM     17  O   LIG    1       -2.336   5.962   3.073  0.00  0.00    -0.247 OA
ATOM     18  C   LIG    1        0.976   4.168   0.165  0.00  0.00    +0.030 A 
ATOM     19  N   LIG    1       -1.828   3.798   2.330  0.00  0.00    -0.306 N 
ATOM     20  H   LIG    1       -2.552   3.291   2.811  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1        1.233   2.855  -0.253  0.00  0.00    +0.028 A 
ENDBRANCH   6  10
BRANCH   5  22
ATOM     22  C   LIG    1       -1.644  -0.412  -0.707  0.00  0.00    +0.018 A 
ATOM     23  C   LIG    1       -2.477  -1.365  -0.100  0.00  0.00    +0.017 A 
ATOM     24  C   LIG    1       -3.874  -1.262  -0.183  0.00  0.00    -0.021 A 
ATOM     25  C   LIG    1       -4.432  -0.200  -0.906  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1       -3.614   0.738  -1.536  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -2.226   0.627  -1.445  0.00  0.00    +0.011 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -4.760  -2.301   0.459  0.00  0.00    +0.194 C 
BRANCH  28  29
ATOM     29  O   LIG    1       -5.789  -1.701   1.247  0.00  0.00    -0.378 OA
ATOM     30  C   LIG    1       -5.333  -1.310   2.536  0.00  0.00    +0.194 C 
ENDBRANCH  28  29
ENDBRANCH  24  28
ENDBRANCH   5  22
BRANCH   1  34
ATOM     31  C   LIG    1        6.293  -4.585  -2.283  0.00  0.00    +0.128 C 
ATOM     32  N   LIG    1        5.174  -3.752  -1.923  0.00  0.00    -0.314 N 
ATOM     33  H   LIG    1        4.373  -3.751  -2.541  0.00  0.00    +0.149 HD
ATOM     34  C   LIG    1        5.334  -2.708  -1.034  0.00  0.00    +0.244 C 
ATOM     35  O   LIG    1        6.391  -2.465  -0.463  0.00  0.00    -0.270 OA
ENDBRANCH   1  34
TORSDOF 5