REMARK  Name = BDB019647
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.106  -0.856  -1.251  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1       -0.443  -2.012  -1.702  0.00  0.00    -0.242 NA
ATOM      3  C   LIG    1       -1.564  -2.462  -1.098  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1       -2.161  -1.774  -0.040  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1       -1.591  -0.583   0.420  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -0.432  -0.115  -0.206  0.00  0.00    +0.038 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.127  -3.712  -1.630  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1       -1.385  -4.902  -1.746  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1        0.064  -4.980  -1.350  0.00  0.00    +0.066 C 
ATOM     10  N   LIG    1       -1.913  -6.066  -2.218  0.00  0.00    -0.224 NA
ATOM     11  C   LIG    1       -3.203  -6.056  -2.604  0.00  0.00    +0.213 A 
ATOM     12  F   LIG    1       -3.721  -7.200  -3.071  0.00  0.00    -0.184 F 
ATOM     13  C   LIG    1       -4.014  -4.943  -2.540  0.00  0.00    +0.060 A 
ATOM     14  C   LIG    1       -3.469  -3.761  -2.046  0.00  0.00    +0.016 A 
ENDBRANCH   3   7
BRANCH   1  17
ATOM     15  N   LIG    1        2.265   0.293  -1.200  0.00  0.00    -0.303 N 
ATOM     16  H   LIG    1        2.220   0.276  -0.187  0.00  0.00    +0.150 HD
ATOM     17  C   LIG    1        1.346  -0.396  -1.963  0.00  0.00    +0.263 C 
ATOM     18  O   LIG    1        1.527  -0.637  -3.152  0.00  0.00    -0.269 OA
BRANCH  15  19
ATOM     19  C   LIG    1        3.555   0.675  -1.752  0.00  0.00    +0.180 C 
BRANCH  19  24
ATOM     20  C   LIG    1        6.791   3.503   2.026  0.00  0.00    +0.047 C 
ATOM     21  C   LIG    1        5.964   2.748   1.044  0.00  0.00    -0.014 A 
ATOM     22  C   LIG    1        4.897   1.962   1.425  0.00  0.00    +0.117 A 
ATOM     23  N   LIG    1        4.108   1.295   0.560  0.00  0.00    -0.238 NA
ATOM     24  C   LIG    1        4.405   1.435  -0.755  0.00  0.00    +0.146 A 
ATOM     25  N   LIG    1        5.419   2.183  -1.230  0.00  0.00    -0.238 NA
ATOM     26  C   LIG    1        6.168   2.830  -0.317  0.00  0.00    +0.117 A 
ENDBRANCH  19  24
ENDBRANCH  15  19
ENDBRANCH   1  17
BRANCH   5  27
ATOM     27  C   LIG    1       -2.220   0.200   1.544  0.00  0.00    +0.139 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -2.770   1.431   1.015  0.00  0.00    -0.313 N 
ATOM     29  H   LIG    1       -3.343   1.293   0.191  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -3.294   2.346   1.858  0.00  0.00    +0.176 C 
ATOM     31  N   LIG    1       -3.971   3.344   1.235  0.00  0.00    -0.316 N 
ATOM     32  H   LIG    1       -3.517   3.677   0.393  0.00  0.00    +0.149 HD
ATOM     33  C   LIG    1       -4.221   4.366   2.232  0.00  0.00    +0.127 C 
ATOM     34  C   LIG    1       -3.967   3.596   3.531  0.00  0.00    +0.163 C 
ATOM     35  N   LIG    1       -3.196   2.380   3.152  0.00  0.00    -0.255 NA
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 7