REMARK  Name = BDB057819
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.332  -0.391   0.242  0.00  0.00    +0.163 A 
ATOM      2  N   LIG    1       -3.022  -0.531  -0.895  0.00  0.00    -0.227 NA
ATOM      3  C   LIG    1       -2.328  -0.542  -2.035  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -0.935  -0.415  -2.075  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1       -0.268  -0.462  -3.327  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -0.982  -0.614  -4.513  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.365  -0.724  -4.465  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.306  -0.255  -0.826  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1       -3.020  -0.689  -3.231  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -0.998  -0.267   0.325  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -4.340   0.233   1.668  0.00  0.00    +0.065 A 
ATOM     12  C   LIG    1       -3.091  -0.413   1.504  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -2.560  -1.117   2.609  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -3.243  -1.205   3.823  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -4.478  -0.589   3.966  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -5.023   0.123   2.900  0.00  0.00    +0.013 A 
BRANCH  11  18
ATOM     17  F   LIG    1       -4.099   1.886  -0.074  0.00  0.00    -0.166 F 
ATOM     18  C   LIG    1       -4.971   1.058   0.566  0.00  0.00    +0.418 C 
ATOM     19  F   LIG    1       -5.947   1.893   1.041  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -5.590   0.311  -0.389  0.00  0.00    -0.166 F 
ENDBRANCH  11  18
ENDBRANCH   1  12
BRANCH   8  21
ATOM     21  N   LIG    1        1.097  -0.114  -0.772  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1        1.377   0.639  -1.395  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        1.640   0.092   0.565  0.00  0.00    +0.138 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.138   0.273   0.455  0.00  0.00    -0.027 A 
ATOM     25  C   LIG    1        3.721   1.535   0.660  0.00  0.00    +0.054 A 
ATOM     26  C   LIG    1        5.091   1.645   0.535  0.00  0.00    +0.167 A 
ATOM     27  O   LIG    1        5.812   2.785   0.701  0.00  0.00    -0.453 OA
ATOM     28  C   LIG    1        7.148   2.299   0.454  0.00  0.00    +0.466 C 
ATOM     29  O   LIG    1        7.199   0.891   0.141  0.00  0.00    -0.453 OA
ATOM     30  C   LIG    1        5.881   0.566   0.216  0.00  0.00    +0.166 A 
ATOM     31  C   LIG    1        5.347  -0.686   0.001  0.00  0.00    +0.050 A 
ATOM     32  C   LIG    1        3.961  -0.829   0.121  0.00  0.00    +0.009 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   8  21
TORSDOF 5