REMARK  Name = BDB021582
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.499   1.243   0.507  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1        3.460   0.514   1.085  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1        2.118   0.730   0.714  0.00  0.00    +0.133 A 
ATOM      4  O   LIG    1        1.296  -0.114   1.401  0.00  0.00    -0.490 OA
ATOM      5  C   LIG    1       -0.055  -0.227   0.990  0.00  0.00    +0.248 C 
ATOM      6  C   LIG    1       -0.787   1.088   1.161  0.00  0.00    +0.149 C 
ATOM      7  N   LIG    1       -0.717   1.872  -0.060  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1        0.463   2.142  -0.743  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1        0.431   2.779  -1.799  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        1.809   1.718  -0.232  0.00  0.00    +0.078 A 
ATOM     11  C   LIG    1        2.885   2.458  -0.786  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        4.214   2.233  -0.421  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  14
ATOM     13  O   LIG    1        6.508   1.955   1.433  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1        5.899   1.022   0.919  0.00  0.00    +0.247 C 
ATOM     15  N   LIG    1        6.462  -0.218   0.691  0.00  0.00    -0.292 N 
ATOM     16  C   LIG    1        7.877  -0.444   0.982  0.00  0.00    +0.183 C 
ATOM     17  C   LIG    1        8.239  -1.704   0.209  0.00  0.00    +0.266 C 
ATOM     18  F   LIG    1        8.745  -1.394  -1.008  0.00  0.00    -0.204 F 
ATOM     19  F   LIG    1        9.146  -2.466   0.850  0.00  0.00    -0.204 F 
ATOM     20  C   LIG    1        6.920  -2.433   0.044  0.00  0.00    +0.096 C 
ATOM     21  C   LIG    1        5.941  -1.286  -0.151  0.00  0.00    +0.114 C 
ENDBRANCH   1  14
BRANCH   7  22
ATOM     22  C   LIG    1       -1.928   2.599  -0.461  0.00  0.00    +0.140 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.571   2.161  -1.795  0.00  0.00    +0.146 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -3.745   2.958  -2.023  0.00  0.00    -0.389 OA
ATOM     25  H   LIG    1       -4.332   2.783  -1.266  0.00  0.00    +0.210 HD
ENDBRANCH  23  24
BRANCH  23  26
ATOM     26  C   LIG    1       -2.929   0.657  -1.867  0.00  0.00    +0.117 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -3.932   0.229  -0.861  0.00  0.00    -0.295 NA
ATOM     28  C   LIG    1       -3.649  -1.159  -0.429  0.00  0.00    +0.120 C 
ATOM     29  C   LIG    1       -4.684  -1.710   0.527  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1       -5.986  -1.181   0.556  0.00  0.00    -0.042 A 
ATOM     31  C   LIG    1       -6.940  -1.723   1.427  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -6.611  -2.803   2.246  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -5.328  -3.344   2.204  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -6.333   0.005  -0.307  0.00  0.00    +0.051 C 
ATOM     35  C   LIG    1       -4.369  -2.804   1.347  0.00  0.00    +0.005 A 
ATOM     36  C   LIG    1       -5.302   0.247  -1.420  0.00  0.00    +0.089 C 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH   7  22
TORSDOF 6