REMARK  Name = BDB062435
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.181  -1.367   0.561  0.00  0.00    +0.073 A 
ATOM      2  N   LIG    1       -1.466  -0.924   0.575  0.00  0.00    -0.228 NA
ATOM      3  C   LIG    1       -2.470  -1.835   0.612  0.00  0.00    +0.155 A 
ATOM      4  C   LIG    1       -2.234  -3.205   0.669  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1       -0.918  -3.653   0.669  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1        0.119  -2.727   0.613  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        3.077   0.471  -0.209  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1        2.088  -0.521  -0.155  0.00  0.00    +0.055 A 
ATOM      9  C   LIG    1        0.859  -0.318   0.499  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1        0.649   0.939   1.091  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1        1.624   1.938   1.039  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        2.837   1.704   0.391  0.00  0.00    +0.046 A 
BRANCH   7  13
ATOM     13  O   LIG    1        4.206   0.102  -0.884  0.00  0.00    -0.489 OA
BRANCH  13  15
ATOM     14  C   LIG    1        5.198   1.950  -2.096  0.00  0.00    +0.051 C 
ATOM     15  C   LIG    1        5.327   0.990  -0.917  0.00  0.00    +0.167 C 
ATOM     16  C   LIG    1        6.570   0.120  -1.088  0.00  0.00    +0.051 C 
ENDBRANCH  13  15
ENDBRANCH   7  13
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  N   LIG    1       -3.822  -1.359   0.639  0.00  0.00    -0.209 N 
ATOM     18  C   LIG    1       -4.293  -0.069   0.490  0.00  0.00    +0.163 A 
ATOM     19  C   LIG    1       -5.612  -0.080   0.925  0.00  0.00    +0.109 A 
ATOM     20  C   LIG    1       -5.903  -1.442   1.105  0.00  0.00    +0.150 A 
ATOM     21  N   LIG    1       -4.848  -2.225   0.891  0.00  0.00    -0.172 NA
BRANCH  18  22
ATOM     22  C   LIG    1       -3.465   1.018  -0.062  0.00  0.00    +0.435 C 
ATOM     23  F   LIG    1       -2.683   1.610   0.871  0.00  0.00    -0.164 F 
ATOM     24  F   LIG    1       -2.680   0.617  -1.093  0.00  0.00    -0.164 F 
ATOM     25  F   LIG    1       -4.238   2.004  -0.598  0.00  0.00    -0.164 F 
ENDBRANCH  18  22
BRANCH  19  26
ATOM     26  C   LIG    1       -6.521   1.022   1.119  0.00  0.00    +0.340 C 
ATOM     27  O   LIG    1       -7.736   0.922   1.192  0.00  0.00    -0.245 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -5.922   2.216   1.288  0.00  0.00    -0.477 OA
ATOM     29  H   LIG    1       -6.666   2.842   1.406  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  19  26
ENDBRANCH   3  17
TORSDOF 7