REMARK  Name = BDB051457
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.587   0.442  -0.080  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -3.301  -0.001   0.282  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -3.190  -0.992   1.254  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1       -1.839  -1.202   1.375  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1       -1.407  -1.881   1.981  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1       -1.174  -0.348   0.526  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1       -4.286  -1.577   1.893  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -5.555  -1.121   1.521  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -2.049   0.389  -0.134  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1       -5.709  -0.129   0.551  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        0.284  -0.283   0.376  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        1.168  -0.956   1.229  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        2.554  -0.864   1.041  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        3.100  -0.099  -0.002  0.00  0.00    -0.018 A 
ATOM     15  C   LIG    1        2.211   0.575  -0.851  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        0.827   0.485  -0.663  0.00  0.00    +0.012 A 
BRANCH  14  17
ATOM     17  C   LIG    1        4.555  -0.009  -0.199  0.00  0.00    -0.015 A 
ATOM     18  C   LIG    1        5.405   0.378   0.844  0.00  0.00    +0.028 A 
ATOM     19  C   LIG    1        6.770   0.447   0.610  0.00  0.00    +0.111 A 
ATOM     20  N   LIG    1        7.345   0.156  -0.575  0.00  0.00    -0.263 NA
ATOM     21  C   LIG    1        6.515  -0.214  -1.572  0.00  0.00    +0.111 A 
ATOM     22  C   LIG    1        5.138  -0.309  -1.435  0.00  0.00    +0.028 A 
ENDBRANCH  14  17
ENDBRANCH   6  11
BRANCH   1  26
ATOM     23  N   LIG    1       -5.676   2.456  -0.841  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1       -5.682   3.235  -1.487  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -5.976   2.633   0.107  0.00  0.00    +0.145 HD
ATOM     26  C   LIG    1       -4.760   1.474  -1.119  0.00  0.00    +0.244 C 
ATOM     27  O   LIG    1       -4.146   1.470  -2.176  0.00  0.00    -0.270 OA
ENDBRANCH   1  26
TORSDOF 3