REMARK  Name = BDB052993
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.475  -1.226   0.130  0.00  0.00    +0.153 A 
ATOM      2  C   LIG    1       -0.278  -2.475   0.422  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -1.660  -2.439   0.304  0.00  0.00    +0.052 A 
ATOM      4  C   LIG    1       -2.418  -3.596   0.554  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -1.791  -4.780   0.939  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.408  -4.810   1.088  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.342  -1.182  -0.058  0.00  0.00    +0.280 A 
ATOM      8  O   LIG    1       -3.563  -1.236  -0.194  0.00  0.00    -0.265 OA
ATOM      9  N   LIG    1       -1.527  -0.056  -0.215  0.00  0.00    -0.195 N 
ATOM     10  C   LIG    1        0.349  -3.662   0.837  0.00  0.00    +0.012 A 
ATOM     11  N   LIG    1       -0.154  -0.118  -0.142  0.00  0.00    -0.147 NA
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1       -2.024   1.263  -0.523  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1       -1.129   2.283  -0.913  0.00  0.00    +0.031 A 
ATOM     14  C   LIG    1       -1.571   3.575  -1.214  0.00  0.00    +0.040 A 
ATOM     15  C   LIG    1       -2.921   3.871  -1.126  0.00  0.00    +0.124 A 
ATOM     16  F   LIG    1       -3.351   5.106  -1.412  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1       -3.831   2.898  -0.743  0.00  0.00    +0.040 A 
ATOM     18  C   LIG    1       -3.384   1.604  -0.443  0.00  0.00    +0.031 A 
ENDBRANCH   9  12
BRANCH   1  19
ATOM     19  N   LIG    1        1.869  -1.270   0.132  0.00  0.00    -0.283 N 
ATOM     20  H   LIG    1        2.264  -2.186  -0.045  0.00  0.00    +0.155 HD
BRANCH  19  26
ATOM     21  C   LIG    1        4.283   3.068   0.706  0.00  0.00    +0.067 C 
ATOM     22  C   LIG    1        3.878   1.665   0.458  0.00  0.00    +0.062 A 
ATOM     23  N   LIG    1        4.791   0.745   0.125  0.00  0.00    -0.178 NA
ATOM     24  N   LIG    1        4.073  -0.381  -0.018  0.00  0.00    -0.264 N 
ATOM     25  H   LIG    1        4.567  -1.224  -0.283  0.00  0.00    +0.190 HD
ATOM     26  C   LIG    1        2.732  -0.223   0.216  0.00  0.00    +0.120 A 
ATOM     27  C   LIG    1        2.580   1.107   0.532  0.00  0.00    +0.068 A 
ENDBRANCH  19  26
ENDBRANCH   1  19
TORSDOF 3