REMARK  Name = BDB053704
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.619   0.652   0.920  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -1.336   1.772   0.411  0.00  0.00    -0.279 N 
ATOM      3  C   LIG    1       -0.426   2.713  -0.082  0.00  0.00    +0.064 A 
ATOM      4  C   LIG    1        0.893   2.121   0.144  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1        2.005   2.787  -0.185  0.00  0.00    +0.096 A 
ATOM      6  N   LIG    1        1.894   4.031  -0.757  0.00  0.00    -0.328 N 
ATOM      7  H   LIG    1        2.726   4.553  -1.009  0.00  0.00    +0.168 HD
ATOM      8  C   LIG    1        0.697   4.668  -1.000  0.00  0.00    +0.251 A 
ATOM      9  O   LIG    1        0.638   5.779  -1.515  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1       -0.537   3.939  -0.609  0.00  0.00    +0.097 A 
ATOM     11  C   LIG    1        0.718   0.826   0.770  0.00  0.00    +0.108 A 
ENDROOT
BRANCH  11  12
ATOM     12  C   LIG    1        1.803  -0.050   1.234  0.00  0.00    +0.252 C 
ATOM     13  N   LIG    1        2.519  -0.735   0.268  0.00  0.00    -0.295 N 
ATOM     14  C   LIG    1        3.615  -1.606   0.698  0.00  0.00    +0.123 C 
ATOM     15  C   LIG    1        4.654  -1.810  -0.417  0.00  0.00    +0.100 C 
ATOM     16  N   LIG    1        4.112  -2.348  -1.678  0.00  0.00    -0.313 NA
ATOM     17  H   LIG    1        4.635  -1.950  -2.457  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1        2.676  -2.072  -1.837  0.00  0.00    +0.100 C 
ATOM     19  C   LIG    1        2.187  -0.778  -1.162  0.00  0.00    +0.123 C 
ATOM     20  O   LIG    1        2.049  -0.120   2.436  0.00  0.00    -0.270 OA
ENDBRANCH  11  12
BRANCH   2  21
ATOM     21  C   LIG    1       -2.749   1.910   0.422  0.00  0.00    +0.050 A 
ATOM     22  C   LIG    1       -3.505   1.566   1.554  0.00  0.00    +0.026 A 
ATOM     23  C   LIG    1       -4.897   1.695   1.563  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -5.561   2.168   0.435  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.834   2.510  -0.701  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -3.442   2.381  -0.706  0.00  0.00    +0.026 A 
ENDBRANCH   2  21
BRANCH   1  27
ATOM     27  O   LIG    1       -1.276  -0.419   1.494  0.00  0.00    -0.438 OA
BRANCH  27  30
ATOM     28  C   LIG    1       -2.154  -1.407  -1.119  0.00  0.00    +0.047 C 
ATOM     29  C   LIG    1       -1.325  -2.205  -0.154  0.00  0.00    -0.008 A 
ATOM     30  C   LIG    1       -0.923  -1.685   1.088  0.00  0.00    +0.136 A 
ATOM     31  C   LIG    1       -0.224  -2.477   2.002  0.00  0.00    +0.085 A 
ATOM     32  C   LIG    1        0.138  -3.767   1.645  0.00  0.00    +0.127 A 
ATOM     33  F   LIG    1        0.831  -4.522   2.508  0.00  0.00    -0.205 F 
ATOM     34  C   LIG    1       -0.205  -4.290   0.405  0.00  0.00    +0.039 A 
ATOM     35  C   LIG    1       -0.939  -3.513  -0.493  0.00  0.00    +0.010 A 
ENDBRANCH  27  30
ENDBRANCH   1  27
TORSDOF 4