REMARK  Name = BDB021517
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.071   1.025  -0.627  0.00  0.00    +0.127 A 
ATOM      2  C   LIG    1       -3.293   0.709   0.484  0.00  0.00    +0.092 A 
ATOM      3  C   LIG    1       -1.912   0.998   0.531  0.00  0.00    +0.139 A 
ATOM      4  O   LIG    1       -1.369   0.612   1.724  0.00  0.00    -0.489 OA
ATOM      5  C   LIG    1       -0.011   0.919   2.029  0.00  0.00    +0.248 C 
ATOM      6  C   LIG    1        0.342   2.369   1.730  0.00  0.00    +0.149 C 
ATOM      7  N   LIG    1        0.833   2.491   0.364  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1        0.141   1.931  -0.708  0.00  0.00    +0.253 C 
ATOM      9  O   LIG    1        0.699   1.702  -1.781  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1       -1.299   1.609  -0.569  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1       -2.098   1.929  -1.678  0.00  0.00    +0.142 A 
ATOM     12  F   LIG    1       -1.582   2.559  -2.745  0.00  0.00    -0.204 F 
ATOM     13  C   LIG    1       -3.461   1.644  -1.710  0.00  0.00    +0.085 A 
ENDROOT
BRANCH   1  14
ATOM     14  O   LIG    1       -5.406   0.796  -0.783  0.00  0.00    -0.489 OA
BRANCH  14  19
ATOM     15  C   LIG    1       -8.937  -2.790  -0.778  0.00  0.00    +0.104 C 
ATOM     16  N   LIG    1       -8.473  -1.709   0.090  0.00  0.00    -0.305 NA
ATOM     17  C   LIG    1       -7.220  -2.051   0.774  0.00  0.00    +0.087 C 
ATOM     18  C   LIG    1       -5.999  -1.342   0.201  0.00  0.00    +0.060 C 
ATOM     19  C   LIG    1       -6.154   0.183   0.278  0.00  0.00    +0.176 C 
ATOM     20  C   LIG    1       -7.619   0.614   0.109  0.00  0.00    +0.060 C 
ATOM     21  C   LIG    1       -8.419  -0.440  -0.651  0.00  0.00    +0.087 C 
ENDBRANCH  14  19
ENDBRANCH   1  14
BRANCH   7  22
ATOM     22  C   LIG    1        2.262   2.773   0.178  0.00  0.00    +0.140 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.147   1.525   0.337  0.00  0.00    +0.146 C 
BRANCH  23  24
ATOM     24  O   LIG    1        3.224   1.159   1.727  0.00  0.00    -0.389 OA
ATOM     25  H   LIG    1        4.055   0.641   1.795  0.00  0.00    +0.210 HD
ENDBRANCH  23  24
BRANCH  23  26
ATOM     26  C   LIG    1        4.577   1.795  -0.178  0.00  0.00    +0.117 C 
BRANCH  26  27
ATOM     27  N   LIG    1        5.503   0.688   0.164  0.00  0.00    -0.295 NA
ATOM     28  C   LIG    1        5.208  -0.521  -0.641  0.00  0.00    +0.120 C 
ATOM     29  C   LIG    1        6.237  -1.622  -0.487  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1        7.530  -1.345  -0.012  0.00  0.00    -0.042 A 
ATOM     31  C   LIG    1        8.472  -2.377   0.093  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        8.141  -3.674  -0.297  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        6.867  -3.950  -0.788  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        7.880   0.048   0.441  0.00  0.00    +0.051 C 
ATOM     35  C   LIG    1        5.920  -2.930  -0.885  0.00  0.00    +0.005 A 
ATOM     36  C   LIG    1        6.897   1.101  -0.087  0.00  0.00    +0.089 C 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH   7  22
TORSDOF 7