REMARK  Name = BDB056900
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.312   0.533  -0.134  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        2.698   0.537  -0.466  0.00  0.00    +0.065 A 
ATOM      3  C   LIG    1        3.568   1.295   0.323  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        4.995   1.484   0.026  0.00  0.00    +0.196 A 
ATOM      5  C   LIG    1        5.856   0.342  -0.282  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        5.532  -0.629  -1.217  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1        4.321  -0.619  -2.056  0.00  0.00    +0.257 A 
ATOM      8  O   LIG    1        4.376  -1.149  -3.167  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1        6.448  -1.676  -1.449  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        7.657  -1.748  -0.754  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        7.977  -0.764   0.173  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        7.084   0.281   0.404  0.00  0.00    +0.012 A 
ATOM     13  O   LIG    1        5.502   2.595   0.167  0.00  0.00    -0.287 OA
ATOM     14  C   LIG    1        3.092   2.016   1.435  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        1.748   1.982   1.795  0.00  0.00    -0.049 A 
ATOM     16  C   LIG    1        1.247   2.778   2.963  0.00  0.00    +0.044 C 
ATOM     17  N   LIG    1        3.111  -0.157  -1.620  0.00  0.00    -0.321 N 
ATOM     18  H   LIG    1        2.374  -0.473  -2.254  0.00  0.00    +0.169 HD
ATOM     19  C   LIG    1        0.866   1.251   0.998  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1  22
ATOM     20  C   LIG    1       -1.613  -0.995  -1.442  0.00  0.00    +0.242 A 
ATOM     21  O   LIG    1       -0.959  -0.248  -0.475  0.00  0.00    -0.416 OA
ATOM     22  C   LIG    1        0.328  -0.201  -0.934  0.00  0.00    +0.251 A 
ATOM     23  N   LIG    1        0.476  -0.850  -2.067  0.00  0.00    -0.107 NA
ATOM     24  N   LIG    1       -0.762  -1.356  -2.391  0.00  0.00    -0.108 NA
BRANCH  20  26
ATOM     25  C   LIG    1       -3.783  -0.915  -0.389  0.00  0.00    +0.017 C 
ATOM     26  C   LIG    1       -2.996  -1.316  -1.400  0.00  0.00    +0.070 C 
BRANCH  25  28
ATOM     27  C   LIG    1       -6.131  -0.222   0.150  0.00  0.00    +0.127 A 
ATOM     28  C   LIG    1       -5.228  -1.206  -0.308  0.00  0.00    +0.017 A 
ATOM     29  C   LIG    1       -5.713  -2.482  -0.636  0.00  0.00    +0.011 A 
ATOM     30  C   LIG    1       -7.073  -2.775  -0.537  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -7.962  -1.799  -0.100  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -7.494  -0.529   0.246  0.00  0.00    +0.046 A 
BRANCH  27  34
ATOM     33  C   LIG    1       -6.484   2.033   0.860  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1       -5.589   0.998   0.475  0.00  0.00    -0.495 OA
ENDBRANCH  27  34
ENDBRANCH  25  28
ENDBRANCH  20  26
ENDBRANCH   1  22
TORSDOF 4