REMARK  Name = BDB018567
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.140   5.410  -1.273  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -2.161   3.990  -0.952  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -3.362   3.297  -1.024  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -4.443   3.782  -1.344  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -3.295   1.856  -0.679  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -2.132   1.271  -0.337  0.00  0.00    -0.002 A 
ATOM      7  C   LIG    1       -0.890   2.064  -0.297  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -0.973   3.375  -0.598  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -2.210  -0.160   0.013  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -2.315  -1.141  -0.967  0.00  0.00    +0.119 A 
ATOM     11  N   LIG    1       -2.328  -2.472  -0.713  0.00  0.00    -0.250 NA
ATOM     12  C   LIG    1       -2.261  -2.871   0.591  0.00  0.00    +0.144 A 
ATOM     13  C   LIG    1       -2.156  -1.948   1.634  0.00  0.00    +0.033 A 
ATOM     14  C   LIG    1       -2.132  -0.584   1.340  0.00  0.00    +0.012 A 
BRANCH  12  15
ATOM     15  C   LIG    1       -2.242  -4.362   0.913  0.00  0.00    +0.434 C 
ATOM     16  F   LIG    1       -2.926  -5.131   0.020  0.00  0.00    -0.164 F 
ATOM     17  F   LIG    1       -0.974  -4.867   0.951  0.00  0.00    -0.164 F 
ATOM     18  F   LIG    1       -2.784  -4.647   2.134  0.00  0.00    -0.164 F 
ENDBRANCH  12  15
ENDBRANCH   6   9
BRANCH   7  19
ATOM     19  C   LIG    1        0.368   1.479   0.063  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1        0.937   0.343  -0.467  0.00  0.00    +0.123 A 
ATOM     21  N   LIG    1        2.132   0.131   0.196  0.00  0.00    -0.238 N 
ATOM     22  N   LIG    1        2.368   1.123   1.081  0.00  0.00    -0.174 NA
ATOM     23  C   LIG    1        1.307   1.925   1.006  0.00  0.00    +0.143 A 
BRANCH  21  24
ATOM     24  C   LIG    1        3.031  -0.969   0.051  0.00  0.00    +0.085 A 
ATOM     25  C   LIG    1        4.304  -0.988   0.663  0.00  0.00    +0.112 A 
ATOM     26  C   LIG    1        5.116  -2.117   0.489  0.00  0.00    +0.143 A 
ATOM     27  F   LIG    1        6.334  -2.167   1.051  0.00  0.00    -0.204 F 
ATOM     28  C   LIG    1        4.705  -3.212  -0.264  0.00  0.00    +0.040 A 
ATOM     29  C   LIG    1        3.455  -3.196  -0.868  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        2.623  -2.084  -0.714  0.00  0.00    +0.029 A 
BRANCH  25  31
ATOM     31  C   LIG    1        4.872   0.083   1.434  0.00  0.00    +0.104 C 
ATOM     32  N   LIG    1        5.399   0.914   2.052  0.00  0.00    -0.191 NA
ENDBRANCH  25  31
ENDBRANCH  21  24
ENDBRANCH   7  19
TORSDOF 5