REMARK  Name = BDB057047
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.268  -0.789   1.890  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1        2.145  -0.590   0.690  0.00  0.00    +0.304 C 
ATOM      3  N   LIG    1        0.913  -0.573   0.059  0.00  0.00    -0.296 N 
ATOM      4  H   LIG    1        0.858   0.036  -0.744  0.00  0.00    +0.151 HD
ATOM      5  N   LIG    1        3.155  -0.372  -0.223  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1        2.886  -0.482  -1.189  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.316  -0.735   0.830  0.00  0.00    +0.077 C 
ATOM      8  C   LIG    1       -0.684   0.552   1.575  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -2.029   0.402   2.287  0.00  0.00    +0.086 C 
ATOM     10  N   LIG    1       -3.127  -0.016   1.404  0.00  0.00    -0.298 NA
ATOM     11  C   LIG    1       -2.778  -1.250   0.687  0.00  0.00    +0.086 C 
ATOM     12  C   LIG    1       -1.461  -1.169  -0.086  0.00  0.00    +0.038 C 
BRANCH  10  13
ATOM     13  C   LIG    1       -3.572   1.077   0.525  0.00  0.00    +0.119 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -4.890   0.794  -0.164  0.00  0.00    -0.031 A 
ATOM     15  C   LIG    1       -4.986   0.818  -1.561  0.00  0.00    +0.043 A 
ATOM     16  C   LIG    1       -6.207   0.565  -2.178  0.00  0.00    +0.124 A 
ATOM     17  F   LIG    1       -6.285   0.589  -3.516  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1       -7.347   0.288  -1.432  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1       -7.266   0.264  -0.042  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1       -6.045   0.517   0.589  0.00  0.00    +0.005 A 
ENDBRANCH  13  14
ENDBRANCH  10  13
ENDBRANCH   3   7
BRANCH   5  21
ATOM     21  C   LIG    1        4.532  -0.230   0.040  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1        5.394  -0.183  -1.063  0.00  0.00    +0.035 A 
ATOM     23  C   LIG    1        6.784  -0.039  -0.895  0.00  0.00    +0.057 A 
ATOM     24  C   LIG    1        7.301   0.078   0.402  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        6.447   0.037   1.503  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        5.070  -0.115   1.322  0.00  0.00    +0.023 A 
BRANCH  23  27
ATOM     27  C   LIG    1        7.694   0.029  -2.095  0.00  0.00    +0.417 C 
ATOM     28  F   LIG    1        8.958  -0.407  -1.839  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        7.823   1.297  -2.574  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        7.247  -0.720  -3.142  0.00  0.00    -0.166 F 
ENDBRANCH  23  27
ENDBRANCH   5  21
TORSDOF 5