REMARK  Name = BDB039634
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.647  -0.030   1.276  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1       -1.622  -0.782   0.505  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.222  -0.147   0.668  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.143   1.250   0.172  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -1.420   1.969   0.404  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -2.297   1.385   1.533  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -6.524  -1.071   0.127  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1       -6.121   0.193  -0.158  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1       -4.861   0.512   0.220  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1       -4.466   1.752  -0.115  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1       -3.957  -0.348   0.875  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1       -4.439  -1.640   1.136  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -5.729  -2.012   0.764  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1       -9.980  -0.533  -1.307  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1       -8.594  -0.423  -0.942  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1       -8.118   0.475  -0.997  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -7.920  -1.430  -0.285  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1       -8.396  -2.532  -0.038  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1        0.994   1.969   0.772  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.336   1.413   0.354  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        3.258   0.981   1.312  0.00  0.00    +0.152 A 
ATOM     22  F   LIG    1        2.949   1.044   2.618  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1        4.502   0.477   0.934  0.00  0.00    +0.090 A 
ATOM     24  N   LIG    1        5.424   0.041   1.909  0.00  0.00    -0.304 N 
ATOM     25  H   LIG    1        5.157   0.104   2.886  0.00  0.00    +0.171 HD
ATOM     26  C   LIG    1        6.676  -0.473   1.648  0.00  0.00    +0.333 A 
ATOM     27  N   LIG    1        6.985  -0.534   0.283  0.00  0.00    -0.251 N 
ATOM     28  C   LIG    1        6.151  -0.131  -0.740  0.00  0.00    +0.151 A 
ATOM     29  N   LIG    1        6.708  -0.306  -1.921  0.00  0.00    -0.232 NA
ATOM     30  C   LIG    1        7.950  -0.841  -1.667  0.00  0.00    +0.057 A 
ATOM     31  C   LIG    1        8.868  -1.171  -2.780  0.00  0.00    +0.067 C 
ATOM     32  C   LIG    1        8.141  -0.990  -0.311  0.00  0.00    +0.120 A 
ATOM     33  O   LIG    1        7.481  -0.854   2.486  0.00  0.00    -0.246 OA
ATOM     34  C   LIG    1        4.842   0.404  -0.420  0.00  0.00    +0.044 A 
ATOM     35  C   LIG    1        3.938   0.835  -1.391  0.00  0.00    +0.014 A 
ATOM     36  C   LIG    1        2.692   1.339  -1.004  0.00  0.00    +0.008 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4