REMARK  Name = BDB014921
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.982   5.169   1.799  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -4.296   3.933   1.508  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1       -3.538   3.711   2.135  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1       -5.032   2.830   1.145  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1       -4.276   1.688   0.905  0.00  0.00    -0.281 N 
ATOM      6  C   LIG    1       -2.888   1.801   0.406  0.00  0.00    +0.149 C 
ATOM      7  C   LIG    1       -2.221   0.471   0.396  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -0.873   0.102   0.151  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -0.729  -1.224   0.241  0.00  0.00    -0.155 NA
ATOM     10  N   LIG    1       -1.949  -1.702   0.548  0.00  0.00    -0.261 N 
ATOM     11  C   LIG    1       -2.883  -0.716   0.625  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -4.331  -0.830   0.923  0.00  0.00    +0.074 C 
ATOM     13  C   LIG    1       -5.027   0.481   0.505  0.00  0.00    +0.116 C 
ATOM     14  O   LIG    1       -6.256   2.862   1.051  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  10  15
ATOM     15  C   LIG    1       -2.144  -3.118   0.730  0.00  0.00    +0.135 C 
ATOM     16  C   LIG    1       -1.132  -3.800   1.636  0.00  0.00    +0.186 C 
ATOM     17  O   LIG    1       -1.168  -5.199   1.295  0.00  0.00    -0.378 OA
ATOM     18  C   LIG    1       -1.808  -5.333   0.017  0.00  0.00    +0.162 C 
ATOM     19  C   LIG    1       -2.016  -3.939  -0.536  0.00  0.00    +0.057 C 
ENDBRANCH  10  15
BRANCH   8  20
ATOM     20  N   LIG    1        0.084   1.016  -0.135  0.00  0.00    -0.296 N 
ATOM     21  H   LIG    1       -0.184   1.994  -0.201  0.00  0.00    +0.154 HD
BRANCH  20  22
ATOM     22  C   LIG    1        1.467   0.882  -0.396  0.00  0.00    +0.068 A 
ATOM     23  C   LIG    1        2.209   2.040  -0.679  0.00  0.00    +0.145 A 
ATOM     24  F   LIG    1        1.579   3.227  -0.694  0.00  0.00    -0.204 F 
ATOM     25  C   LIG    1        3.578   2.008  -0.947  0.00  0.00    +0.048 A 
ATOM     26  C   LIG    1        4.260   0.790  -0.941  0.00  0.00    -0.012 A 
ATOM     27  C   LIG    1        3.536  -0.377  -0.656  0.00  0.00    +0.010 A 
ATOM     28  C   LIG    1        2.159  -0.330  -0.388  0.00  0.00    +0.027 A 
BRANCH  26  29
ATOM     29  C   LIG    1        5.686   0.748  -1.216  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        6.367  -0.330  -1.745  0.00  0.00    +0.116 A 
ATOM     31  N   LIG    1        7.673   0.055  -1.855  0.00  0.00    -0.274 N 
ATOM     32  C   LIG    1        8.771  -0.733  -2.360  0.00  0.00    +0.172 C 
ATOM     33  N   LIG    1        7.897   1.313  -1.439  0.00  0.00    -0.179 NA
ATOM     34  C   LIG    1        6.690   1.732  -1.052  0.00  0.00    +0.142 A 
ENDBRANCH  26  29
ENDBRANCH  20  22
ENDBRANCH   8  20
TORSDOF 4