REMARK  Name = BDB063597
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.289  -2.208  -0.426  0.00  0.00    -0.220 N 
ATOM      2  C   LIG    1        1.856  -1.203  -1.164  0.00  0.00    +0.316 C 
ATOM      3  O   LIG    1        1.439  -0.836  -2.253  0.00  0.00    -0.252 OA
ATOM      4  N   LIG    1        2.963  -0.712  -0.451  0.00  0.00    -0.246 N 
ATOM      5  C   LIG    1        3.111  -1.424   0.798  0.00  0.00    +0.211 C 
ATOM      6  C   LIG    1        1.963  -2.402   0.738  0.00  0.00    +0.241 C 
ATOM      7  O   LIG    1        1.708  -3.226   1.607  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        3.843   0.335  -0.838  0.00  0.00    +0.038 A 
ATOM      9  C   LIG    1        3.695   1.025  -2.047  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        4.573   2.055  -2.412  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        5.625   2.431  -1.571  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        5.788   1.742  -0.364  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1        4.908   0.712  -0.004  0.00  0.00    +0.024 A 
BRANCH  11  14
ATOM     14  C   LIG    1        6.584   3.524  -1.972  0.00  0.00    +0.417 C 
ATOM     15  F   LIG    1        7.667   3.042  -2.640  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        7.080   4.213  -0.906  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        6.023   4.459  -2.789  0.00  0.00    -0.166 F 
ENDBRANCH  11  14
ENDBRANCH   4   8
BRANCH   1  18
ATOM     18  C   LIG    1        0.102  -2.933  -0.816  0.00  0.00    +0.153 C 
BRANCH  18  25
ATOM     19  C   LIG    1       -3.347  -2.377   2.796  0.00  0.00    +0.047 C 
ATOM     20  C   LIG    1       -2.821  -1.961   1.452  0.00  0.00    -0.008 A 
ATOM     21  C   LIG    1       -3.416  -0.938   0.696  0.00  0.00    +0.127 A 
ATOM     22  C   LIG    1       -2.942  -0.627  -0.591  0.00  0.00    -0.008 A 
ATOM     23  C   LIG    1       -3.619   0.385  -1.471  0.00  0.00    +0.047 C 
ATOM     24  C   LIG    1       -1.792  -1.276  -1.064  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -1.150  -2.261  -0.302  0.00  0.00    -0.029 A 
ATOM     26  C   LIG    1       -1.672  -2.594   0.954  0.00  0.00    +0.012 A 
BRANCH  21  27
ATOM     27  O   LIG    1       -4.520  -0.301   1.207  0.00  0.00    -0.477 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -4.215   1.016   1.692  0.00  0.00    +0.278 C 
ATOM     29  C   LIG    1       -4.371   1.024   3.209  0.00  0.00    +0.064 C 
BRANCH  28  30
ATOM     30  C   LIG    1       -5.190   2.026   1.090  0.00  0.00    +0.346 C 
ATOM     31  O   LIG    1       -6.149   1.806   0.368  0.00  0.00    -0.247 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -4.883   3.303   1.413  0.00  0.00    -0.478 OA
ATOM     33  H   LIG    1       -5.575   3.827   0.956  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  21  27
ENDBRANCH  18  25
ENDBRANCH   1  18
TORSDOF 8