REMARK  Name = BDB063214
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.015   0.205   0.434  0.00  0.00    +0.117 C 
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1       -5.541  -1.988  -2.551  0.00  0.00    +0.044 C 
ATOM      3  C   LIG    1       -4.396  -1.399  -1.781  0.00  0.00    -0.050 A 
ATOM      4  C   LIG    1       -4.107  -1.846  -0.487  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -3.022  -1.321   0.219  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1       -2.200  -0.340  -0.354  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -2.479   0.085  -1.663  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1       -3.565  -0.440  -2.368  0.00  0.00    +0.004 A 
ENDBRANCH   1   6
BRANCH   1   9
ATOM      9  N   LIG    1        0.202  -0.325  -0.173  0.00  0.00    -0.302 N 
ATOM     10  H   LIG    1        0.279  -0.357  -1.186  0.00  0.00    +0.149 HD
ATOM     11  C   LIG    1        1.307  -0.729   0.566  0.00  0.00    +0.288 C 
ATOM     12  O   LIG    1        1.298  -0.734   1.798  0.00  0.00    -0.269 OA
BRANCH  11  13
ATOM     13  C   LIG    1        2.515  -1.190  -0.305  0.00  0.00    +0.348 C 
ATOM     14  F   LIG    1        2.569  -2.562  -0.321  0.00  0.00    -0.190 F 
ATOM     15  F   LIG    1        2.282  -0.856  -1.622  0.00  0.00    -0.190 F 
BRANCH  13  16
ATOM     16  C   LIG    1        3.812  -0.574   0.189  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1        4.718  -1.328   0.951  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        5.905  -0.755   1.411  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        6.197   0.576   1.118  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        5.303   1.337   0.366  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.117   0.766  -0.097  0.00  0.00    +0.010 A 
ENDBRANCH  13  16
ENDBRANCH  11  13
ENDBRANCH   1   9
BRANCH   1  22
ATOM     22  C   LIG    1       -0.999   1.749   0.520  0.00  0.00    +0.119 C 
ATOM     23  C   LIG    1       -2.286   2.337   1.110  0.00  0.00    +0.021 C 
BRANCH  22  24
ATOM     24  C   LIG    1        0.193   2.194   1.332  0.00  0.00    +0.310 C 
ATOM     25  O   LIG    1        1.260   2.562   0.864  0.00  0.00    -0.251 OA
BRANCH  24  26
ATOM     26  O   LIG    1        0.019   2.102   2.662  0.00  0.00    -0.480 OA
ATOM     27  H   LIG    1        0.909   2.270   3.038  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 7