REMARK  Name = BDB031071
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.757   1.329  -1.843  0.00  0.00    +0.120 A 
ATOM      2  N   LIG    1        0.027   0.263  -1.589  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1        1.076   0.031  -2.410  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1        1.383   0.827  -3.504  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        0.577   1.928  -3.755  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -0.504   2.181  -2.915  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.865  -1.141  -2.077  0.00  0.00    +0.092 A 
ATOM      8  N   LIG    1        2.403  -1.423  -0.832  0.00  0.00    -0.294 N 
ATOM      9  C   LIG    1        3.078  -2.637  -0.957  0.00  0.00    +0.138 A 
ATOM     10  C   LIG    1        3.726  -3.148   0.201  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        3.688  -2.451   1.351  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1        2.996  -1.173   1.456  0.00  0.00    +0.143 A 
ATOM     13  N   LIG    1        3.010  -3.112  -2.181  0.00  0.00    -0.235 NA
ATOM     14  C   LIG    1        2.371  -0.691   0.363  0.00  0.00    +0.139 A 
ATOM     15  C   LIG    1        2.266  -2.197  -2.876  0.00  0.00    +0.141 A 
BRANCH  12  16
ATOM     16  O   LIG    1        3.088  -0.613   2.701  0.00  0.00    -0.433 OA
BRANCH  16  17
ATOM     17  C   LIG    1        2.374   0.590   2.943  0.00  0.00    +0.541 C 
ATOM     18  F   LIG    1        2.867   1.571   2.148  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        2.633   0.961   4.223  0.00  0.00    -0.166 F 
ENDBRANCH  16  17
ENDBRANCH  12  16
ENDBRANCH   3   7
BRANCH   1  20
ATOM     20  N   LIG    1       -1.877   1.600  -1.040  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1       -1.806   2.550  -0.683  0.00  0.00    +0.148 HD
BRANCH  20  23
ATOM     22  C   LIG    1       -3.496   0.967   0.688  0.00  0.00    +0.050 C 
ATOM     23  C   LIG    1       -2.152   0.618   0.024  0.00  0.00    +0.092 C 
ATOM     24  C   LIG    1       -1.128   0.695   1.173  0.00  0.00    +0.103 C 
ATOM     25  N   LIG    1       -1.868   0.953   2.424  0.00  0.00    -0.314 NA
ATOM     26  H   LIG    1       -2.200   0.035   2.753  0.00  0.00    +0.122 HD
ATOM     27  C   LIG    1       -3.070   1.668   1.976  0.00  0.00    +0.088 C 
BRANCH  22  28
ATOM     28  C   LIG    1       -4.341  -0.287   0.950  0.00  0.00    +0.162 C 
BRANCH  28  29
ATOM     29  O   LIG    1       -3.663  -1.225   1.778  0.00  0.00    -0.395 OA
ATOM     30  H   LIG    1       -4.240  -2.007   1.851  0.00  0.00    +0.209 HD
ENDBRANCH  28  29
ENDBRANCH  22  28
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 7