REMARK  Name = BDB042697
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.869  -1.442  -1.704  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -4.923  -0.881  -0.308  0.00  0.00    -0.042 A 
ATOM      3  C   LIG    1       -3.904  -0.050   0.212  0.00  0.00    -0.005 A 
ATOM      4  C   LIG    1       -4.020   0.444   1.529  0.00  0.00    +0.082 A 
ATOM      5  C   LIG    1       -2.951   1.318   2.070  0.00  0.00    +0.259 A 
ATOM      6  N   LIG    1       -1.895   1.587   1.227  0.00  0.00    -0.326 N 
ATOM      7  H   LIG    1       -1.192   2.204   1.617  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1       -1.764   1.107  -0.053  0.00  0.00    +0.020 A 
ATOM      9  O   LIG    1       -2.975   1.790   3.201  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1       -5.128   0.113   2.308  0.00  0.00    +0.136 A 
ATOM     11  F   LIG    1       -5.267   0.564   3.562  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -6.130  -0.704   1.799  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1       -2.717   0.321  -0.576  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -6.030  -1.198   0.499  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   8  15
ATOM     15  C   LIG    1       -0.533   1.522  -0.820  0.00  0.00    +0.062 C 
BRANCH  15  16
ATOM     16  C   LIG    1        0.723   0.816  -0.304  0.00  0.00    +0.102 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.950   1.189  -1.120  0.00  0.00    +0.216 C 
ATOM     18  N   LIG    1        3.134   0.534  -0.794  0.00  0.00    -0.301 N 
ATOM     19  C   LIG    1        3.256  -0.431   0.300  0.00  0.00    +0.110 C 
ATOM     20  C   LIG    1        4.702  -0.780   0.615  0.00  0.00    +0.050 C 
ATOM     21  C   LIG    1        5.436  -1.265  -0.633  0.00  0.00    +0.118 C 
ATOM     22  C   LIG    1        5.125  -0.434  -1.882  0.00  0.00    +0.050 C 
ATOM     23  C   LIG    1        4.346   0.837  -1.554  0.00  0.00    +0.110 C 
ATOM     24  O   LIG    1        1.886   2.025  -2.021  0.00  0.00    -0.276 OA
BRANCH  21  25
ATOM     25  O   LIG    1        6.835  -1.236  -0.360  0.00  0.00    -0.392 OA
ATOM     26  H   LIG    1        7.295  -1.629  -1.123  0.00  0.00    +0.210 HD
ENDBRANCH  21  25
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   8  15
TORSDOF 4