REMARK  Name = BDB028413
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.105  -0.814  -1.172  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1       -1.978  -0.429  -0.144  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -2.631   0.811  -0.201  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1       -2.443   1.640  -1.308  0.00  0.00    +0.085 A 
ATOM      5  C   LIG    1       -3.193   2.903  -1.393  0.00  0.00    +0.275 A 
ATOM      6  N   LIG    1       -4.078   3.146  -0.372  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -4.599   4.016  -0.412  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -4.246   2.389   0.742  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -3.059   3.688  -2.323  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -1.574   1.250  -2.326  0.00  0.00    +0.137 A 
ATOM     11  F   LIG    1       -1.361   2.020  -3.402  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -3.545   1.296   0.866  0.00  0.00    +0.083 A 
ATOM     13  C   LIG    1       -0.901   0.034  -2.261  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   1  19
ATOM     14  C   LIG    1        0.952  -2.232  -0.898  0.00  0.00    +0.077 A 
ATOM     15  N   LIG    1        1.156  -3.596  -0.864  0.00  0.00    -0.266 N 
ATOM     16  C   LIG    1        2.404  -4.292  -0.648  0.00  0.00    +0.173 C 
ATOM     17  N   LIG    1        0.032  -4.316  -1.048  0.00  0.00    -0.179 NA
ATOM     18  C   LIG    1       -0.922  -3.394  -1.170  0.00  0.00    +0.143 A 
ATOM     19  C   LIG    1       -0.413  -2.082  -1.095  0.00  0.00    +0.028 A 
BRANCH  14  22
ATOM     20  C   LIG    1        3.161   0.496   0.574  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        2.136  -0.471   0.462  0.00  0.00    +0.064 A 
ATOM     22  C   LIG    1        2.012  -1.235  -0.720  0.00  0.00    +0.018 A 
ATOM     23  C   LIG    1        2.910  -1.024  -1.777  0.00  0.00    +0.011 A 
ATOM     24  C   LIG    1        3.919  -0.071  -1.668  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        4.042   0.685  -0.504  0.00  0.00    +0.005 A 
BRANCH  20  27
ATOM     26  C   LIG    1        2.449   2.609   1.740  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1        3.327   1.367   1.801  0.00  0.00    +0.033 C 
ENDBRANCH  20  27
BRANCH  21  28
ATOM     28  C   LIG    1        1.216  -0.680   1.549  0.00  0.00    +0.100 C 
ATOM     29  N   LIG    1        0.465  -0.840   2.420  0.00  0.00    -0.191 NA
ENDBRANCH  21  28
ENDBRANCH  14  22
ENDBRANCH   1  19
BRANCH  12  30
ATOM     30  C   LIG    1       -3.724   0.469   2.146  0.00  0.00    +0.136 C 
BRANCH  30  31
ATOM     31  N   LIG    1       -4.053   1.355   3.268  0.00  0.00    -0.325 NA
ATOM     32  H   LIG    1       -4.523   0.825   3.998  0.00  0.00    +0.119 HD
ATOM     33  H   LIG    1       -4.722   2.052   2.930  0.00  0.00    +0.119 HD
ENDBRANCH  30  31
ENDBRANCH  12  30
TORSDOF 6