REMARK  Name = BDB055931
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.832   0.668   0.499  0.00  0.00    -0.314 N 
ATOM      2  H   LIG    1       -2.050   1.134   1.379  0.00  0.00    +0.152 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -2.822   1.018  -0.463  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -4.133   0.485  -0.408  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -5.056   1.080  -1.286  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1       -6.396   0.717  -1.244  0.00  0.00    -0.306 N 
ATOM      7  H   LIG    1       -7.018   1.210  -1.869  0.00  0.00    +0.170 HD
ATOM      8  C   LIG    1       -6.937  -0.184  -0.376  0.00  0.00    +0.258 A 
ATOM      9  C   LIG    1       -5.998  -0.908   0.516  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -6.524  -1.912   1.347  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -5.676  -2.672   2.143  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -4.308  -2.442   2.090  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.789  -1.436   1.262  0.00  0.00    +0.009 A 
ATOM     14  O   LIG    1       -8.144  -0.400  -0.348  0.00  0.00    -0.267 OA
ATOM     15  N   LIG    1       -4.782   2.051  -2.184  0.00  0.00    -0.237 NA
ATOM     16  C   LIG    1       -3.523   2.511  -2.214  0.00  0.00    +0.115 A 
ATOM     17  C   LIG    1       -4.618  -0.614   0.475  0.00  0.00    -0.000 A 
ATOM     18  C   LIG    1       -2.533   2.050  -1.373  0.00  0.00    +0.043 A 
ENDBRANCH   1   3
BRANCH   1  22
ATOM     19  C   LIG    1        2.364   0.270  -0.002  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        1.821   0.670   1.218  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        0.435   0.809   1.369  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1       -0.436   0.575   0.300  0.00  0.00    +0.031 A 
ATOM     23  C   LIG    1        0.111   0.135  -0.910  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1        1.496  -0.007  -1.063  0.00  0.00    +0.025 A 
BRANCH  19  27
ATOM     25  O   LIG    1        4.691   0.913   1.737  0.00  0.00    -0.270 OA
ATOM     26  C   LIG    1        4.781   0.389   0.634  0.00  0.00    +0.248 C 
ATOM     27  N   LIG    1        3.745   0.100  -0.235  0.00  0.00    -0.282 N 
ATOM     28  H   LIG    1        3.994  -0.204  -1.167  0.00  0.00    +0.155 HD
BRANCH  26  29
ATOM     29  C   LIG    1        6.141   0.052   0.127  0.00  0.00    +0.040 A 
ATOM     30  C   LIG    1        6.371  -1.076  -0.668  0.00  0.00    +0.051 A 
ATOM     31  C   LIG    1        7.663  -1.344  -1.108  0.00  0.00    +0.124 A 
ATOM     32  F   LIG    1        7.883  -2.421  -1.872  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1        8.730  -0.518  -0.767  0.00  0.00    +0.038 A 
ATOM     34  C   LIG    1        8.507   0.596   0.040  0.00  0.00    +0.004 A 
ATOM     35  C   LIG    1        7.215   0.878   0.491  0.00  0.00    +0.013 A 
ENDBRANCH  26  29
ENDBRANCH  19  27
ENDBRANCH   1  22
TORSDOF 4