REMARK  Name = BDB049864
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.934   0.340  -1.055  0.00  0.00    +0.152 A 
ATOM      2  C   LIG    1        0.536   0.902  -2.382  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -0.628   0.413  -2.969  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -1.063   0.904  -4.210  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -0.330   1.889  -4.868  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.835   2.384  -4.288  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.414  -0.627  -2.287  0.00  0.00    +0.275 A 
ATOM      8  O   LIG    1       -2.454  -1.033  -2.799  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -0.907  -1.088  -1.082  0.00  0.00    -0.223 N 
ATOM     10  C   LIG    1        1.269   1.896  -3.051  0.00  0.00    +0.012 A 
ATOM     11  N   LIG    1        0.224  -0.598  -0.486  0.00  0.00    -0.152 NA
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        2.074   0.823  -0.416  0.00  0.00    -0.283 N 
ATOM     13  H   LIG    1        2.620   1.512  -0.914  0.00  0.00    +0.155 HD
BRANCH  12  19
ATOM     14  C   LIG    1        4.601   0.294   3.849  0.00  0.00    +0.067 C 
ATOM     15  C   LIG    1        3.634   0.217   2.728  0.00  0.00    +0.062 A 
ATOM     16  N   LIG    1        2.567  -0.585   2.817  0.00  0.00    -0.178 NA
ATOM     17  N   LIG    1        1.929  -0.404   1.644  0.00  0.00    -0.264 N 
ATOM     18  H   LIG    1        1.067  -0.910   1.454  0.00  0.00    +0.190 HD
ATOM     19  C   LIG    1        2.554   0.489   0.812  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1        3.669   0.911   1.495  0.00  0.00    +0.068 A 
ENDBRANCH  12  19
ENDBRANCH   1  12
BRANCH   9  21
ATOM     21  C   LIG    1       -1.641  -2.103  -0.331  0.00  0.00    +0.185 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.472  -1.494   0.768  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -1.965  -1.400   2.068  0.00  0.00    +0.128 A 
ATOM     24  F   LIG    1       -0.744  -1.879   2.344  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1       -2.703  -0.814   3.095  0.00  0.00    +0.041 A 
ATOM     26  C   LIG    1       -3.972  -0.304   2.825  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1       -4.481  -0.386   1.533  0.00  0.00    +0.124 A 
ATOM     28  F   LIG    1       -5.697   0.111   1.273  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -3.746  -0.970   0.504  0.00  0.00    +0.046 A 
ENDBRANCH  21  22
ENDBRANCH   9  21
TORSDOF 4