REMARK  Name = BDB054812
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.074  -0.576  -1.083  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -1.946  -1.874  -1.572  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -2.909  -2.429  -2.322  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.810  -2.628  -1.289  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        0.216  -2.076  -0.520  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        0.115  -0.762  -0.036  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.032  -0.011  -0.334  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  15
ATOM      8  O   LIG    1       -5.802  -1.339   1.993  0.00  0.00    -0.274 OA
ATOM      9  C   LIG    1       -5.695  -0.744   0.922  0.00  0.00    +0.230 C 
ATOM     10  N   LIG    1       -6.443   0.389   0.694  0.00  0.00    -0.313 N 
ATOM     11  H   LIG    1       -6.925   0.739   1.514  0.00  0.00    +0.149 HD
ATOM     12  C   LIG    1       -6.173   1.296  -0.410  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1       -5.670   0.547  -1.643  0.00  0.00    +0.127 C 
ATOM     14  N   LIG    1       -4.536  -0.290  -1.260  0.00  0.00    -0.287 N 
ATOM     15  C   LIG    1       -3.259   0.253  -1.391  0.00  0.00    +0.250 C 
ATOM     16  O   LIG    1       -3.068   1.413  -1.752  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1       -4.869  -1.307  -0.253  0.00  0.00    +0.203 C 
ENDBRANCH   1  15
BRANCH   6  18
ATOM     18  C   LIG    1        1.243  -0.158   0.771  0.00  0.00    +0.094 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.451   0.293  -0.044  0.00  0.00    +0.087 A 
ATOM     20  C   LIG    1        3.759   0.470   0.685  0.00  0.00    +0.059 A 
ATOM     21  N   LIG    1        3.853   0.303   2.064  0.00  0.00    -0.342 N 
ATOM     22  H   LIG    1        2.992   0.493   2.571  0.00  0.00    +0.146 HD
ATOM     23  C   LIG    1        5.053   0.736   2.775  0.00  0.00    +0.102 C 
ATOM     24  C   LIG    1        6.287   0.383   1.951  0.00  0.00    +0.023 C 
ATOM     25  C   LIG    1        6.191   0.965   0.534  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1        4.823   0.794  -0.066  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1        4.672   1.025  -1.519  0.00  0.00    +0.270 A 
ATOM     28  O   LIG    1        5.628   1.329  -2.226  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1        3.404   0.901  -2.018  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1        3.275   1.058  -3.012  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1        2.301   0.526  -1.315  0.00  0.00    -0.174 NA
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 3