REMARK  Name = BDB052866
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.823  -3.900   0.380  0.00  0.00    +0.141 C 
ATOM      2  N   LIG    1       -2.276  -2.772  -0.339  0.00  0.00    -0.245 N 
ATOM      3  C   LIG    1       -2.296  -2.560  -1.664  0.00  0.00    +0.183 C 
ATOM      4  N   LIG    1       -1.722  -1.485  -2.091  0.00  0.00    -0.230 NA
ATOM      5  C   LIG    1       -1.164  -0.780  -0.876  0.00  0.00    +0.191 C 
ATOM      6  C   LIG    1       -1.622  -1.735   0.260  0.00  0.00    +0.258 C 
ATOM      7  O   LIG    1       -1.452  -1.606   1.467  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1        0.371  -0.679  -1.003  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        1.225  -0.706   0.117  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1        2.614  -0.582  -0.029  0.00  0.00    +0.060 A 
ATOM     11  C   LIG    1        3.159  -0.419  -1.300  0.00  0.00    +0.139 A 
ATOM     12  F   LIG    1        4.485  -0.299  -1.466  0.00  0.00    -0.204 F 
ATOM     13  C   LIG    1        2.340  -0.372  -2.421  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1        0.957  -0.495  -2.273  0.00  0.00    +0.010 A 
BRANCH  10  15
ATOM     15  C   LIG    1        3.455  -0.619   1.128  0.00  0.00    -0.063 C 
ATOM     16  C   LIG    1        4.161  -0.647   2.099  0.00  0.00    -0.094 C 
BRANCH  16  17
ATOM     17  C   LIG    1        5.006  -0.679   3.256  0.00  0.00    +0.064 C 
ATOM     18  C   LIG    1        5.610   0.610   3.747  0.00  0.00    +0.017 C 
ATOM     19  C   LIG    1        6.479  -0.417   3.082  0.00  0.00    +0.017 C 
ENDBRANCH  16  17
ENDBRANCH  10  15
ENDBRANCH   5   8
BRANCH   5  20
ATOM     20  C   LIG    1       -1.788   0.622  -0.724  0.00  0.00    -0.007 A 
ATOM     21  C   LIG    1       -2.414   1.258  -1.809  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1       -2.960   2.539  -1.677  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1       -2.894   3.220  -0.462  0.00  0.00    +0.127 A 
ATOM     24  C   LIG    1       -2.249   2.619   0.617  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1       -1.702   1.335   0.485  0.00  0.00    +0.010 A 
BRANCH  23  26
ATOM     26  O   LIG    1       -3.467   4.460  -0.466  0.00  0.00    -0.434 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -3.726   5.037   0.802  0.00  0.00    +0.541 C 
ATOM     28  F   LIG    1       -4.499   6.134   0.597  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1       -2.562   5.480   1.337  0.00  0.00    -0.166 F 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH   5  20
BRANCH   3  30
ATOM     30  N   LIG    1       -2.899  -3.422  -2.515  0.00  0.00    -0.331 N 
ATOM     31  H   LIG    1       -3.026  -3.028  -3.442  0.00  0.00    +0.145 HD
ATOM     32  H   LIG    1       -3.721  -3.903  -2.175  0.00  0.00    +0.145 HD
ENDBRANCH   3  30
TORSDOF 7