REMARK  Name = BDB002114
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.087  -2.648   0.955  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        2.360  -1.755   0.534  0.00  0.00    +0.258 A 
ATOM      3  C   LIG    1        2.884  -0.410   0.209  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        1.989   0.554  -0.269  0.00  0.00    -0.010 A 
ATOM      5  C   LIG    1        2.467   1.830  -0.585  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        3.822   2.132  -0.420  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        4.707   1.164   0.059  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        0.576   0.206  -0.431  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1        0.111  -1.017  -0.110  0.00  0.00    +0.104 A 
ATOM     10  C   LIG    1        4.240  -0.112   0.375  0.00  0.00    +0.014 A 
ATOM     11  N   LIG    1        1.012  -1.953   0.339  0.00  0.00    -0.310 N 
ATOM     12  H   LIG    1        0.683  -2.874   0.587  0.00  0.00    +0.170 HD
ENDROOT
BRANCH   9  13
ATOM     13  N   LIG    1       -1.202  -1.399  -0.273  0.00  0.00    -0.301 N 
ATOM     14  H   LIG    1       -1.340  -2.404  -0.273  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -2.383  -0.688   0.019  0.00  0.00    +0.032 A 
ATOM     16  C   LIG    1       -2.412   0.495   0.772  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1       -3.612   1.179   0.991  0.00  0.00    +0.040 A 
ATOM     18  C   LIG    1       -4.791   0.687   0.448  0.00  0.00    +0.124 A 
ATOM     19  F   LIG    1       -5.939   1.343   0.656  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1       -4.792  -0.475  -0.311  0.00  0.00    +0.040 A 
ATOM     21  C   LIG    1       -3.591  -1.156  -0.526  0.00  0.00    +0.026 A 
ENDBRANCH  13  15
ENDBRANCH   9  13
TORSDOF 2