REMARK  Name = BDB055065
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.485   1.315   1.606  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1        1.449   0.284   0.951  0.00  0.00    +0.304 C 
ATOM      3  N   LIG    1        2.413  -0.180   0.081  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        2.120  -0.935  -0.519  0.00  0.00    +0.156 HD
ATOM      5  N   LIG    1        0.374  -0.582   0.984  0.00  0.00    -0.295 N 
ATOM      6  H   LIG    1        0.621  -1.557   0.898  0.00  0.00    +0.151 HD
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        3.677   0.382  -0.180  0.00  0.00    +0.035 A 
ATOM      8  C   LIG    1        4.213   1.456   0.527  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        5.484   1.949   0.207  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1        6.241   1.377  -0.817  0.00  0.00    +0.130 A 
ATOM     11  C   LIG    1        5.710   0.300  -1.523  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1        4.438  -0.194  -1.204  0.00  0.00    +0.027 A 
BRANCH  10  13
ATOM     13  O   LIG    1        7.459   1.961  -1.015  0.00  0.00    -0.406 OA
BRANCH  13  14
ATOM     14  C   LIG    1        8.291   1.426  -2.029  0.00  0.00    +0.575 C 
ATOM     15  F   LIG    1        7.707   1.523  -3.242  0.00  0.00    -0.133 F 
ATOM     16  F   LIG    1        8.596   0.134  -1.778  0.00  0.00    -0.133 F 
ATOM     17  F   LIG    1        9.445   2.130  -2.061  0.00  0.00    -0.133 F 
ENDBRANCH  13  14
ENDBRANCH  10  13
ENDBRANCH   3   7
BRANCH   5  18
ATOM     18  C   LIG    1       -0.718  -0.313   1.898  0.00  0.00    +0.141 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.841  -1.298   1.661  0.00  0.00    -0.025 A 
ATOM     20  C   LIG    1       -2.682  -1.234   0.524  0.00  0.00    -0.023 A 
ATOM     21  C   LIG    1       -3.639  -2.253   0.339  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -3.795  -3.279   1.271  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -2.986  -3.321   2.399  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -2.012  -2.344   2.589  0.00  0.00    +0.005 A 
BRANCH  20  25
ATOM     25  C   LIG    1       -2.518  -0.145  -0.521  0.00  0.00    +0.157 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -3.795   0.342  -1.059  0.00  0.00    -0.337 N 
ATOM     27  C   LIG    1       -4.739   1.101  -0.384  0.00  0.00    +0.127 A 
ATOM     28  C   LIG    1       -5.772   1.326  -1.289  0.00  0.00    +0.034 A 
ATOM     29  C   LIG    1       -5.449   0.692  -2.510  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -4.223   0.097  -2.344  0.00  0.00    +0.087 A 
BRANCH  27  31
ATOM     31  C   LIG    1       -4.594   1.562   0.983  0.00  0.00    +0.353 C 
ATOM     32  O   LIG    1       -3.539   1.751   1.568  0.00  0.00    -0.243 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -5.792   1.762   1.584  0.00  0.00    -0.476 OA
ATOM     34  H   LIG    1       -6.537   1.441   1.047  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  27  31
ENDBRANCH  25  26
ENDBRANCH  20  25
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 9