REMARK  Name = BDB019668
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.709   1.628   0.561  0.00  0.00    +0.074 A 
ATOM      2  N   LIG    1        0.382   1.552  -0.231  0.00  0.00    -0.242 NA
ATOM      3  C   LIG    1        0.572   0.414  -0.944  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1       -0.291  -0.675  -0.899  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1       -1.411  -0.601  -0.069  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -1.618   0.575   0.666  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        1.435   2.793   2.324  0.00  0.00    +0.066 C 
ATOM      8  C   LIG    1        0.095   3.448   2.127  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1       -0.891   2.890   1.292  0.00  0.00    +0.022 A 
ATOM     10  C   LIG    1       -2.099   3.603   1.180  0.00  0.00    +0.016 A 
ATOM     11  C   LIG    1       -2.285   4.795   1.873  0.00  0.00    +0.060 A 
ATOM     12  C   LIG    1       -1.257   5.249   2.672  0.00  0.00    +0.213 A 
ATOM     13  F   LIG    1       -1.430   6.392   3.349  0.00  0.00    -0.184 F 
ATOM     14  N   LIG    1       -0.083   4.608   2.819  0.00  0.00    -0.224 NA
ENDBRANCH   1   9
BRANCH   3  15
ATOM     15  C   LIG    1        1.795   0.383  -1.808  0.00  0.00    +0.263 C 
ATOM     16  N   LIG    1        2.489  -0.817  -1.827  0.00  0.00    -0.306 N 
ATOM     17  H   LIG    1        2.270  -1.518  -1.133  0.00  0.00    +0.149 HD
ATOM     18  O   LIG    1        2.156   1.376  -2.430  0.00  0.00    -0.269 OA
BRANCH  16  19
ATOM     19  C   LIG    1        3.771  -0.929  -2.491  0.00  0.00    +0.141 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.861  -0.894  -1.452  0.00  0.00    -0.014 A 
ATOM     21  C   LIG    1        5.596  -1.972  -1.125  0.00  0.00    +0.091 A 
ATOM     22  N   LIG    1        6.581  -1.886  -0.174  0.00  0.00    -0.329 N 
ATOM     23  H   LIG    1        7.131  -2.701   0.070  0.00  0.00    +0.168 HD
ATOM     24  C   LIG    1        6.903  -0.734   0.501  0.00  0.00    +0.249 A 
ATOM     25  O   LIG    1        7.782  -0.687   1.353  0.00  0.00    -0.268 OA
ATOM     26  C   LIG    1        6.114   0.468   0.135  0.00  0.00    +0.070 A 
ATOM     27  C   LIG    1        5.153   0.372  -0.796  0.00  0.00    +0.012 A 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   3  15
BRANCH   5  28
ATOM     28  C   LIG    1       -2.398  -1.738   0.017  0.00  0.00    +0.139 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -3.637  -1.347  -0.621  0.00  0.00    -0.313 N 
ATOM     30  H   LIG    1       -3.485  -0.901  -1.523  0.00  0.00    +0.149 HD
BRANCH  29  31
ATOM     31  C   LIG    1       -4.676  -2.201  -0.727  0.00  0.00    +0.176 C 
ATOM     32  N   LIG    1       -4.990  -2.959   0.353  0.00  0.00    -0.316 N 
ATOM     33  H   LIG    1       -4.942  -2.449   1.227  0.00  0.00    +0.149 HD
ATOM     34  C   LIG    1       -6.281  -3.561   0.080  0.00  0.00    +0.127 C 
ATOM     35  C   LIG    1       -6.399  -3.363  -1.435  0.00  0.00    +0.163 C 
ATOM     36  N   LIG    1       -5.406  -2.315  -1.798  0.00  0.00    -0.255 NA
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 7