REMARK  Name = BDB053707
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.423  -0.678  -0.926  0.00  0.00    +0.067 A 
ATOM      2  C   LIG    1        0.679  -2.051  -0.643  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -0.522  -2.624  -0.222  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1       -0.582  -3.990   0.096  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        0.611  -4.690   0.008  0.00  0.00    +0.113 A 
ATOM      6  N   LIG    1        1.788  -4.160  -0.375  0.00  0.00    -0.263 NA
ATOM      7  N   LIG    1       -1.511  -1.643  -0.306  0.00  0.00    -0.312 N 
ATOM      8  C   LIG    1        1.827  -2.853  -0.722  0.00  0.00    +0.121 A 
ATOM      9  C   LIG    1       -0.927  -0.437  -0.690  0.00  0.00    +0.041 A 
ENDROOT
BRANCH   1  11
ATOM     10  O   LIG    1        1.303   0.688  -2.591  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1        1.383   0.293  -1.431  0.00  0.00    +0.249 C 
ATOM     12  N   LIG    1        2.376   0.733  -0.560  0.00  0.00    -0.295 N 
ATOM     13  C   LIG    1        2.471   0.412   0.871  0.00  0.00    +0.123 C 
ATOM     14  C   LIG    1        3.924   0.497   1.369  0.00  0.00    +0.100 C 
ATOM     15  N   LIG    1        4.567   1.806   1.164  0.00  0.00    -0.313 NA
ATOM     16  H   LIG    1        5.557   1.654   0.967  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1        3.953   2.569   0.066  0.00  0.00    +0.100 C 
ATOM     18  C   LIG    1        3.338   1.717  -1.058  0.00  0.00    +0.123 C 
ENDBRANCH   1  11
BRANCH   7  19
ATOM     19  C   LIG    1       -2.897  -1.875  -0.077  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1       -3.313  -2.541   1.082  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -4.673  -2.772   1.298  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -5.613  -2.349   0.358  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -5.198  -1.692  -0.801  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.841  -1.454  -1.022  0.00  0.00    +0.026 A 
ENDBRANCH   7  19
BRANCH   9  25
ATOM     25  C   LIG    1       -1.679   0.871  -0.772  0.00  0.00    +0.094 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -1.053   2.010   0.003  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -0.990   2.046   1.405  0.00  0.00    +0.047 A 
ATOM     28 CL   LIG    1       -1.627   0.774   2.386  0.00  0.00    -0.083 Cl
ATOM     29  C   LIG    1       -0.406   3.133   2.070  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        0.117   4.204   1.348  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        0.047   4.193  -0.040  0.00  0.00    +0.039 A 
ATOM     32  C   LIG    1       -0.537   3.110  -0.694  0.00  0.00    +0.128 A 
ATOM     33  F   LIG    1       -0.607   3.148  -2.033  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH   9  25
TORSDOF 4