REMARK  Name = BDB046633
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.250  -1.070  -0.995  0.00  0.00    +0.132 C 
ATOM      2  C   LIG    1        0.364   0.333  -1.629  0.00  0.00    +0.120 C 
ATOM      3  N   LIG    1       -0.966   0.883  -1.943  0.00  0.00    -0.335 N 
ATOM      4  H   LIG    1       -0.948   1.783  -2.422  0.00  0.00    +0.147 HD
ATOM      5  C   LIG    1       -1.996   0.718  -1.020  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -1.950  -0.254  -0.011  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1       -2.995  -0.405   0.897  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1       -4.139   0.385   0.791  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1       -4.215   1.310  -0.239  0.00  0.00    +0.126 A 
ATOM     10  F   LIG    1       -5.314   2.064  -0.368  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -2.862  -1.405   1.964  0.00  0.00    +0.273 A 
ATOM     12  O   LIG    1       -3.747  -1.567   2.795  0.00  0.00    -0.266 OA
ATOM     13  N   LIG    1       -1.691  -2.124   1.973  0.00  0.00    -0.242 N 
ATOM     14  H   LIG    1       -1.598  -2.847   2.682  0.00  0.00    +0.192 HD
ATOM     15  N   LIG    1       -0.690  -2.042   1.052  0.00  0.00    -0.174 NA
ATOM     16  C   LIG    1       -3.165   1.476  -1.143  0.00  0.00    +0.062 A 
ATOM     17  C   LIG    1       -0.789  -1.153   0.108  0.00  0.00    +0.084 A 
ENDROOT
BRANCH   1  20
ATOM     18  C   LIG    1        2.034  -0.969   1.744  0.00  0.00    +0.174 C 
ATOM     19  N   LIG    1        2.308  -1.622   0.489  0.00  0.00    -0.251 N 
ATOM     20  C   LIG    1        1.586  -1.681  -0.681  0.00  0.00    +0.138 A 
ATOM     21  N   LIG    1        2.307  -2.333  -1.579  0.00  0.00    -0.219 NA
ATOM     22  C   LIG    1        3.430  -2.694  -0.900  0.00  0.00    +0.245 A 
ATOM     23  N   LIG    1        3.483  -2.270   0.359  0.00  0.00    -0.158 NA
ENDBRANCH   1  20
BRANCH   2  24
ATOM     24  C   LIG    1        1.219   1.339  -0.896  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1        2.568   1.467  -1.189  0.00  0.00    +0.119 A 
ATOM     26  N   LIG    1        3.404   2.318  -0.562  0.00  0.00    -0.243 NA
ATOM     27  C   LIG    1        2.860   3.069   0.403  0.00  0.00    +0.221 A 
ATOM     28  N   LIG    1        1.576   3.036   0.784  0.00  0.00    -0.243 NA
ATOM     29  C   LIG    1        0.783   2.174   0.115  0.00  0.00    +0.119 A 
ENDBRANCH   2  24
TORSDOF 2