REMARK  Name = BDB000760
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.574  -0.113   0.168  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1       -1.448   0.345  -0.545  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -0.171   0.051  -0.051  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1        0.048  -0.663   1.114  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1        1.391  -0.797   1.363  0.00  0.00    -0.227 NA
ATOM      6  C   LIG    1        2.016  -0.189   0.363  0.00  0.00    +0.146 A 
ATOM      7  C   LIG    1       -1.054  -1.122   1.840  0.00  0.00    +0.032 A 
ATOM      8  N   LIG    1        1.087   0.341  -0.508  0.00  0.00    -0.338 N 
ATOM      9  H   LIG    1        1.315   0.875  -1.339  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1       -2.343  -0.838   1.354  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        3.419  -0.015   0.110  0.00  0.00    +0.103 A 
ATOM     12  C   LIG    1        3.876   0.875  -1.013  0.00  0.00    +0.262 A 
ATOM     13  O   LIG    1        3.084   1.455  -1.757  0.00  0.00    -0.267 OA
ATOM     14  N   LIG    1        5.218   1.023  -1.204  0.00  0.00    -0.321 N 
ATOM     15  H   LIG    1        5.490   1.625  -1.970  0.00  0.00    +0.169 HD
ATOM     16  C   LIG    1        6.184   0.417  -0.403  0.00  0.00    +0.054 A 
ATOM     17  C   LIG    1        5.789  -0.408   0.659  0.00  0.00    +0.055 A 
ATOM     18  C   LIG    1        6.811  -0.951   1.453  0.00  0.00    +0.134 A 
ATOM     19  C   LIG    1        8.161  -0.707   1.190  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1        8.525   0.100   0.118  0.00  0.00    +0.005 A 
ATOM     21  F   LIG    1        6.526  -1.711   2.524  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1        7.534   0.668  -0.679  0.00  0.00    +0.026 A 
ATOM     23  C   LIG    1        4.335  -0.653   0.885  0.00  0.00    +0.053 A 
BRANCH  23  24
ATOM     24  N   LIG    1        4.008  -1.562   1.886  0.00  0.00    -0.357 N 
ATOM     25  H   LIG    1        4.625  -1.539   2.695  0.00  0.00    +0.142 HD
ATOM     26  H   LIG    1        3.014  -1.513   2.147  0.00  0.00    +0.142 HD
ENDBRANCH  23  24
ENDBRANCH   6  11
BRANCH   1  31
ATOM     27  C   LIG    1       -7.873   0.916  -0.708  0.00  0.00    +0.105 C 
ATOM     28  N   LIG    1       -6.617   0.598  -1.381  0.00  0.00    -0.302 NA
ATOM     29  C   LIG    1       -5.619   1.665  -1.147  0.00  0.00    +0.103 C 
ATOM     30  C   LIG    1       -4.150   1.196  -1.266  0.00  0.00    +0.120 C 
ATOM     31  N   LIG    1       -3.864   0.147  -0.274  0.00  0.00    -0.327 N 
ATOM     32  C   LIG    1       -4.996  -0.711   0.115  0.00  0.00    +0.120 C 
ATOM     33  C   LIG    1       -6.094  -0.723  -0.976  0.00  0.00    +0.103 C 
ENDBRANCH   1  31
TORSDOF 3