REMARK  Name = BDB051449
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.450  -0.296   0.382  0.00  0.00    +0.017 A 
ATOM      2  C   LIG    1       -0.786  -0.902   1.456  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        0.617  -0.916   1.521  0.00  0.00    +0.011 A 
ATOM      4  C   LIG    1        1.389  -0.326   0.513  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        0.725   0.276  -0.563  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -0.674   0.289  -0.627  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1       -6.093   0.306  -1.216  0.00  0.00    +0.064 A 
ATOM      8  C   LIG    1       -4.931   0.034  -0.471  0.00  0.00    +0.102 A 
ATOM      9  C   LIG    1       -5.072  -0.452   0.826  0.00  0.00    +0.067 A 
ATOM     10  N   LIG    1       -3.785  -0.608   1.275  0.00  0.00    -0.338 N 
ATOM     11  H   LIG    1       -3.523  -0.920   2.196  0.00  0.00    +0.167 HD
ATOM     12  C   LIG    1       -2.913  -0.257   0.271  0.00  0.00    +0.139 A 
ATOM     13  C   LIG    1       -6.309  -0.685   1.435  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -7.452  -0.412   0.676  0.00  0.00    +0.003 A 
ATOM     15  N   LIG    1       -3.596   0.128  -0.792  0.00  0.00    -0.227 NA
ATOM     16  C   LIG    1       -7.352   0.076  -0.629  0.00  0.00    +0.015 A 
BRANCH   7  20
ATOM     17  N   LIG    1       -6.810   0.247  -3.516  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1       -7.198  -0.671  -3.353  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -6.632   0.516  -4.476  0.00  0.00    +0.145 HD
ATOM     20  C   LIG    1       -5.999   0.843  -2.585  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1       -5.265   1.771  -2.891  0.00  0.00    -0.270 OA
ENDBRANCH   7  20
ENDBRANCH   1  12
BRANCH   4  22
ATOM     22  C   LIG    1        2.846  -0.321   0.548  0.00  0.00    +0.090 A 
ATOM     23  N   LIG    1        3.617   0.243  -0.448  0.00  0.00    -0.228 NA
ATOM     24  C   LIG    1        4.865   0.061  -0.080  0.00  0.00    +0.139 A 
ATOM     25  N   LIG    1        4.940  -0.609   1.133  0.00  0.00    -0.306 N 
ATOM     26  C   LIG    1        6.141  -0.933   1.756  0.00  0.00    +0.093 A 
ATOM     27  C   LIG    1        7.299  -0.588   1.167  0.00  0.00    +0.030 A 
ATOM     28  C   LIG    1        7.273   0.123  -0.119  0.00  0.00    +0.060 A 
ATOM     29  C   LIG    1        6.091   0.427  -0.704  0.00  0.00    +0.059 A 
ATOM     30  C   LIG    1        3.651  -0.853   1.534  0.00  0.00    +0.121 A 
BRANCH  28  31
ATOM     31  C   LIG    1        8.599   0.483  -0.729  0.00  0.00    +0.418 C 
ATOM     32  F   LIG    1        9.324   1.288   0.090  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        9.356  -0.619  -0.965  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        8.477   1.136  -1.913  0.00  0.00    -0.166 F 
ENDBRANCH  28  31
ENDBRANCH   4  22
TORSDOF 4