REMARK  Name = BDB027748
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.724   0.785  -0.415  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.282   1.852  -1.213  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.085   1.858  -1.490  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        1.539   2.899  -2.286  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        0.781   3.902  -2.802  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -0.528   3.876  -2.500  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        1.932   0.926  -1.025  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        1.417  -0.045  -0.253  0.00  0.00    +0.165 A 
ATOM      9  C   LIG    1       -1.102   2.889  -1.721  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.124  -0.138   0.071  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.348  -1.048   0.281  0.00  0.00    +0.060 A 
ATOM     12  C   LIG    1        1.918  -2.280   0.782  0.00  0.00    +0.188 A 
ATOM     13  F   LIG    1        0.624  -2.634   0.776  0.00  0.00    -0.200 F 
ATOM     14  C   LIG    1        2.854  -3.176   1.279  0.00  0.00    +0.249 A 
ATOM     15  F   LIG    1        2.429  -4.358   1.752  0.00  0.00    -0.181 F 
ATOM     16  N   LIG    1        4.186  -2.945   1.315  0.00  0.00    -0.225 NA
ATOM     17  C   LIG    1        4.596  -1.760   0.827  0.00  0.00    +0.115 A 
ATOM     18  C   LIG    1        3.734  -0.803   0.311  0.00  0.00    +0.034 A 
ENDBRANCH   8  11
BRANCH   1  19
ATOM     19  N   LIG    1       -2.108   0.688  -0.088  0.00  0.00    -0.323 N 
ATOM     20  H   LIG    1       -2.636   0.722  -0.957  0.00  0.00    +0.148 HD
BRANCH  19  22
ATOM     21  C   LIG    1       -2.236  -0.139   2.297  0.00  0.00    +0.031 C 
ATOM     22  C   LIG    1       -2.556  -0.383   0.840  0.00  0.00    +0.031 C 
ATOM     23  C   LIG    1       -2.603  -1.815   0.356  0.00  0.00    +0.027 C 
ATOM     24  C   LIG    1       -3.881  -1.057   0.545  0.00  0.00    +0.027 C 
ENDBRANCH  19  22
ENDBRANCH   1  19
TORSDOF 3