REMARK  Name = BDB016433
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.198   0.265  -0.221  0.00  0.00    +0.161 A 
ATOM      2  N   LIG    1       -2.003  -0.264   0.995  0.00  0.00    -0.227 NA
ATOM      3  C   LIG    1       -0.741  -0.447   1.403  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1        0.377  -0.117   0.624  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        1.709  -0.354   1.091  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        1.860  -0.846   2.394  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1        0.750  -1.171   3.170  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1        0.042   0.456  -0.602  0.00  0.00    +0.125 A 
ATOM      9  C   LIG    1       -0.533  -0.980   2.664  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -1.217   0.657  -1.047  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -4.635  -0.439  -0.388  0.00  0.00    +0.065 A 
ATOM     12  C   LIG    1       -3.589   0.477  -0.658  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -3.909   1.652  -1.375  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -5.213   1.932  -1.788  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -6.236   1.041  -1.496  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -5.951  -0.134  -0.803  0.00  0.00    +0.013 A 
BRANCH  11  18
ATOM     17  F   LIG    1       -3.295  -2.430  -0.116  0.00  0.00    -0.166 F 
ATOM     18  C   LIG    1       -4.393  -1.754   0.324  0.00  0.00    +0.418 C 
ATOM     19  F   LIG    1       -5.428  -2.635   0.145  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -4.276  -1.631   1.675  0.00  0.00    -0.166 F 
ENDBRANCH  11  18
ENDBRANCH   1  12
BRANCH   5  21
ATOM     21  N   LIG    1        2.808   0.016   0.297  0.00  0.00    -0.339 N 
ATOM     22  H   LIG    1        2.648  -0.183  -0.689  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1        4.168  -0.366   0.676  0.00  0.00    +0.144 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.185   0.052  -0.351  0.00  0.00    +0.007 A 
ATOM     25  S   LIG    1        5.990  -1.120  -1.306  0.00  0.00    -0.100 S 
ATOM     26  C   LIG    1        6.883   0.079  -2.138  0.00  0.00    +0.045 A 
ATOM     27  C   LIG    1        6.573   1.348  -1.704  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        5.590   1.333  -0.672  0.00  0.00    +0.013 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   5  21
TORSDOF 5