REMARK  Name = BDB058158
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.544   0.838  -2.435  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1        5.029   0.817  -1.013  0.00  0.00    -0.022 A 
ATOM      3  C   LIG    1        4.146   0.517   0.041  0.00  0.00    +0.082 A 
ATOM      4  C   LIG    1        4.638   0.510   1.353  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1        3.694   0.189   2.433  0.00  0.00    +0.260 A 
ATOM      6  N   LIG    1        2.400  -0.043   2.044  0.00  0.00    -0.306 N 
ATOM      7  H   LIG    1        1.776  -0.311   2.790  0.00  0.00    +0.170 HD
ATOM      8  C   LIG    1        1.988  -0.023   0.731  0.00  0.00    +0.141 A 
ATOM      9  O   LIG    1        4.040   0.124   3.606  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1        5.975   0.791   1.639  0.00  0.00    +0.053 A 
ATOM     11  C   LIG    1        6.830   1.085   0.589  0.00  0.00    +0.125 A 
ATOM     12  F   LIG    1        8.116   1.358   0.842  0.00  0.00    -0.205 F 
ATOM     13  N   LIG    1        2.798   0.231  -0.247  0.00  0.00    -0.229 NA
ATOM     14  C   LIG    1        6.374   1.101  -0.726  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   8  15
ATOM     15  C   LIG    1        0.556  -0.328   0.470  0.00  0.00    +0.017 A 
ATOM     16  C   LIG    1        0.205  -0.906  -0.754  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1       -1.131  -1.210  -1.041  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1       -2.149  -0.930  -0.116  0.00  0.00    -0.016 A 
ATOM     19  C   LIG    1       -1.778  -0.340   1.109  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -0.445  -0.035   1.400  0.00  0.00    +0.012 A 
BRANCH  18  21
ATOM     21  C   LIG    1       -3.625  -1.253  -0.387  0.00  0.00    +0.089 C 
ATOM     22  C   LIG    1       -3.969  -1.580  -1.853  0.00  0.00    +0.046 C 
ATOM     23  C   LIG    1       -4.008  -2.479   0.464  0.00  0.00    +0.046 C 
BRANCH  21  24
ATOM     24  O   LIG    1       -4.462  -0.181   0.099  0.00  0.00    -0.367 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -4.430   1.031  -0.668  0.00  0.00    +0.188 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.116   2.116   0.156  0.00  0.00    +0.184 C 
BRANCH  26  27
ATOM     27  O   LIG    1       -6.462   1.732   0.434  0.00  0.00    -0.393 OA
ATOM     28  H   LIG    1       -6.405   0.804   0.736  0.00  0.00    +0.209 HD
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  18  21
ENDBRANCH   8  15
TORSDOF 6