REMARK  Name = BDB031072
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.307  -1.908   1.032  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1       -0.012  -0.759   0.389  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1       -1.306  -0.391   0.365  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1       -2.309  -1.160   0.940  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.966  -2.336   1.600  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -0.632  -2.716   1.657  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1        3.394  -1.705  -2.222  0.00  0.00    +0.143 A 
ATOM      8  C   LIG    1        2.368  -1.730  -1.347  0.00  0.00    +0.139 A 
ATOM      9  N   LIG    1        2.597  -2.117  -0.021  0.00  0.00    -0.294 N 
ATOM     10  C   LIG    1        3.852  -2.509   0.444  0.00  0.00    +0.138 A 
ATOM     11  N   LIG    1        3.816  -2.871   1.707  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1        2.512  -2.703   2.087  0.00  0.00    +0.141 A 
ATOM     13  C   LIG    1        4.934  -2.475  -0.479  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1        1.725  -2.228   1.052  0.00  0.00    +0.092 A 
ATOM     15  C   LIG    1        4.717  -2.091  -1.750  0.00  0.00    +0.051 A 
BRANCH   7  16
ATOM     16  O   LIG    1        3.371  -1.357  -3.546  0.00  0.00    -0.433 OA
BRANCH  16  18
ATOM     17  F   LIG    1        2.355  -0.555  -5.370  0.00  0.00    -0.166 F 
ATOM     18  C   LIG    1        2.135  -0.910  -4.080  0.00  0.00    +0.541 C 
ATOM     19  F   LIG    1        1.260  -1.944  -4.103  0.00  0.00    -0.166 F 
ENDBRANCH  16  18
ENDBRANCH   7  16
ENDBRANCH   1  14
BRANCH   3  20
ATOM     20  N   LIG    1       -1.566   0.805  -0.307  0.00  0.00    -0.324 N 
ATOM     21  H   LIG    1       -0.639   1.124  -0.594  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.267   1.823   0.484  0.00  0.00    +0.095 C 
ATOM     23  C   LIG    1       -2.626   3.001  -0.413  0.00  0.00    +0.090 C 
ATOM     24  C   LIG    1       -2.603   4.175   0.547  0.00  0.00    +0.092 C 
ATOM     25  N   LIG    1       -1.409   3.925   1.366  0.00  0.00    -0.314 NA
ATOM     26  H   LIG    1       -0.580   4.197   0.834  0.00  0.00    +0.122 HD
ATOM     27  C   LIG    1       -1.379   2.465   1.574  0.00  0.00    +0.103 C 
BRANCH  23  28
ATOM     28  C   LIG    1       -3.964   2.827  -1.089  0.00  0.00    +0.347 C 
ATOM     29  F   LIG    1       -4.952   2.711  -0.167  0.00  0.00    -0.209 F 
ATOM     30  F   LIG    1       -4.247   3.932  -1.824  0.00  0.00    -0.209 F 
ENDBRANCH  23  28
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 6