REMARK  Name = BDB057600
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.470  -0.590  -1.348  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1       -1.849  -0.619  -1.427  0.00  0.00    +0.100 A 
ATOM      3  C   LIG    1       -2.103  -0.955  -2.794  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1       -3.397  -1.232  -3.471  0.00  0.00    +0.068 C 
ATOM      5  N   LIG    1       -0.974  -1.043  -3.511  0.00  0.00    -0.177 NA
ATOM      6  N   LIG    1       -0.004  -0.827  -2.605  0.00  0.00    -0.262 N 
ATOM      7  H   LIG    1        0.970  -0.863  -2.881  0.00  0.00    +0.190 HD
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -2.739  -0.385  -0.295  0.00  0.00    +0.253 C 
ATOM      9  N   LIG    1       -3.979   0.115  -0.647  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1       -4.087   0.407  -1.608  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1       -2.349  -0.574   0.854  0.00  0.00    -0.270 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -5.071   0.387   0.202  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1       -6.186   1.014  -0.374  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -7.313   1.312   0.396  0.00  0.00    +0.040 A 
ATOM     15  C   LIG    1       -7.327   0.978   1.743  0.00  0.00    +0.124 A 
ATOM     16  F   LIG    1       -8.407   1.261   2.483  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1       -6.237   0.351   2.331  0.00  0.00    +0.040 A 
ATOM     18  C   LIG    1       -5.108   0.053   1.560  0.00  0.00    +0.026 A 
ENDBRANCH   9  12
ENDBRANCH   2   8
BRANCH   1  19
ATOM     19  N   LIG    1        0.376  -0.380  -0.315  0.00  0.00    -0.221 N 
ATOM     20  H   LIG    1       -0.040  -0.308   0.622  0.00  0.00    +0.176 HD
BRANCH  19  22
ATOM     21  C   LIG    1        2.396  -0.260   0.634  0.00  0.00    +0.138 C 
ATOM     22  N   LIG    1        1.726  -0.416  -0.465  0.00  0.00    -0.189 NA
BRANCH  21  26
ATOM     23  C   LIG    1        6.671  -0.284   0.766  0.00  0.00    +0.120 A 
ATOM     24  C   LIG    1        5.926  -0.107   1.934  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        4.527  -0.101   1.882  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1        3.872  -0.272   0.660  0.00  0.00    -0.005 A 
ATOM     27  C   LIG    1        4.611  -0.449  -0.511  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        6.006  -0.454  -0.452  0.00  0.00    +0.046 A 
BRANCH  23  30
ATOM     29  C   LIG    1        8.762  -0.145   1.890  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1        8.035  -0.310   0.679  0.00  0.00    -0.495 OA
ENDBRANCH  23  30
ENDBRANCH  21  26
ENDBRANCH  19  22
ENDBRANCH   1  19
TORSDOF 6