REMARK  Name = BDB014934
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.439   4.211   0.921  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -5.155   3.016   0.342  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.376   1.923  -0.020  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.906   2.003  -0.123  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.299   0.645  -0.157  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.940   0.234  -0.139  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.860  -1.098  -0.191  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.130  -1.544  -0.229  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1       -3.031  -0.523  -0.232  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.514  -0.574  -0.270  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -5.045   0.804  -0.714  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -6.380   3.032   0.222  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -2.348  -2.987  -0.278  0.00  0.00    +0.130 C 
ATOM     14  C   LIG    1       -3.318  -3.483   0.796  0.00  0.00    +0.035 C 
BRANCH  13  15
ATOM     15  C   LIG    1       -2.738  -3.435  -1.691  0.00  0.00    +0.182 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -2.827  -4.855  -1.794  0.00  0.00    -0.393 OA
ATOM     17  H   LIG    1       -3.671  -5.136  -1.401  0.00  0.00    +0.209 HD
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   8  13
BRANCH   6  18
ATOM     18  N   LIG    1        0.084   1.123  -0.080  0.00  0.00    -0.298 N 
ATOM     19  H   LIG    1       -0.154   2.104  -0.027  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.485   0.938  -0.077  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1        2.312   2.064   0.036  0.00  0.00    +0.062 A 
ATOM     22  C   LIG    1        3.704   1.940   0.049  0.00  0.00    +0.133 A 
ATOM     23  F   LIG    1        4.424   3.067   0.167  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1        4.331   0.695  -0.047  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        3.509  -0.432  -0.163  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1        2.110  -0.308  -0.175  0.00  0.00    +0.024 A 
BRANCH  24  27
ATOM     27  C   LIG    1        5.782   0.576  -0.037  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1        6.490  -0.562   0.300  0.00  0.00    +0.116 A 
ATOM     29  N   LIG    1        7.813  -0.243   0.186  0.00  0.00    -0.274 N 
ATOM     30  C   LIG    1        8.940  -1.107   0.436  0.00  0.00    +0.172 C 
ATOM     31  N   LIG    1        8.026   1.026  -0.202  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1        6.793   1.523  -0.330  0.00  0.00    +0.143 A 
ENDBRANCH  24  27
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 6