REMARK  Name = BDB062245
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.443   0.186   0.591  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1       -2.048  -1.185   0.580  0.00  0.00    +0.152 A 
ATOM      3  N   LIG    1       -0.741  -1.457   0.937  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -0.587  -2.824   0.910  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -1.804  -3.313   0.498  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1        0.182  -0.454   1.283  0.00  0.00    +0.201 A 
ATOM      7  N   LIG    1       -0.195   0.793   1.315  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.703  -2.295   0.293  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1       -1.497   1.080   0.957  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -6.435   2.631  -1.342  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -5.513   1.734  -0.608  0.00  0.00    +0.061 A 
ATOM     12  N   LIG    1       -5.997   0.795   0.210  0.00  0.00    -0.176 NA
ATOM     13  N   LIG    1       -4.902   0.168   0.694  0.00  0.00    -0.266 N 
ATOM     14  C   LIG    1       -5.111  -0.880   1.668  0.00  0.00    +0.173 C 
ATOM     15  C   LIG    1       -3.722   0.691   0.211  0.00  0.00    +0.074 A 
ATOM     16  C   LIG    1       -4.104   1.717  -0.635  0.00  0.00    +0.052 A 
ENDBRANCH   1  15
BRANCH   5  17
ATOM     17  C   LIG    1       -2.162  -4.685   0.302  0.00  0.00    +0.121 C 
ATOM     18  N   LIG    1       -2.415  -5.809   0.152  0.00  0.00    -0.189 NA
ENDBRANCH   5  17
BRANCH   6  19
ATOM     19  N   LIG    1        1.478  -0.788   1.611  0.00  0.00    -0.311 N 
ATOM     20  H   LIG    1        1.901   0.023   2.073  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.411  -1.214   0.555  0.00  0.00    +0.149 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.963  -0.007  -0.216  0.00  0.00    +0.195 C 
ATOM     23  O   LIG    1        3.728   0.826   0.703  0.00  0.00    -0.487 OA
ATOM     24  C   LIG    1        4.764   1.293  -0.062  0.00  0.00    +0.124 A 
ATOM     25  C   LIG    1        4.897   0.637  -1.278  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        5.907   0.979  -2.159  0.00  0.00    +0.045 A 
ATOM     27  C   LIG    1        6.772   2.007  -1.785  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1        6.639   2.667  -0.557  0.00  0.00    +0.042 A 
ATOM     29  F   LIG    1        7.759   2.365  -2.617  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        5.621   2.304   0.326  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1        3.881  -0.434  -1.373  0.00  0.00    +0.085 C 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5