REMARK  Name = BDB061631
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.035  -1.190   2.767  0.00  0.00    +0.184 C 
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1       -3.364  -1.119  -0.033  0.00  0.00    +0.192 A 
ATOM      3  C   LIG    1       -3.249  -0.168   0.979  0.00  0.00    +0.168 A 
ATOM      4  F   LIG    1       -4.146   0.816   1.128  0.00  0.00    -0.202 F 
ATOM      5  C   LIG    1       -2.184  -0.192   1.884  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -1.196  -1.181   1.804  0.00  0.00    -0.020 A 
ATOM      7  C   LIG    1       -1.289  -2.129   0.782  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -2.360  -2.092  -0.112  0.00  0.00    +0.168 A 
ATOM      9  F   LIG    1       -2.409  -3.025  -1.076  0.00  0.00    -0.202 F 
BRANCH   2  10
ATOM     10  O   LIG    1       -4.335  -1.234  -0.983  0.00  0.00    -0.469 OA
BRANCH  10  12
ATOM     11  C   LIG    1       -6.380  -1.070  -2.103  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1       -5.476  -0.377  -1.061  0.00  0.00    +0.201 C 
ATOM     13  C   LIG    1       -5.077   0.988  -1.642  0.00  0.00    +0.067 C 
BRANCH  12  14
ATOM     14  C   LIG    1       -6.350  -0.288   0.207  0.00  0.00    +0.348 C 
ATOM     15  O   LIG    1       -6.365  -1.074   1.143  0.00  0.00    -0.247 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -7.209   0.755   0.206  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1       -7.677   0.666   1.063  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   2  10
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  N   LIG    1        1.048  -0.356   2.306  0.00  0.00    -0.208 N 
ATOM     19  C   LIG    1        2.104  -0.771   1.483  0.00  0.00    +0.351 A 
ATOM     20  O   LIG    1        2.291  -1.921   1.112  0.00  0.00    -0.244 OA
ATOM     21  N   LIG    1        2.824   0.381   1.207  0.00  0.00    -0.250 N 
ATOM     22  C   LIG    1        2.145   1.364   1.843  0.00  0.00    +0.230 A 
ATOM     23  N   LIG    1        1.089   1.000   2.501  0.00  0.00    -0.157 NA
BRANCH  21  24
ATOM     24  C   LIG    1        3.994   0.510   0.420  0.00  0.00    +0.053 A 
ATOM     25  C   LIG    1        4.591  -0.598  -0.195  0.00  0.00    +0.030 A 
ATOM     26  C   LIG    1        5.750  -0.462  -0.972  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1        6.348   0.783  -1.159  0.00  0.00    +0.130 A 
ATOM     28  C   LIG    1        5.769   1.894  -0.555  0.00  0.00    +0.048 A 
ATOM     29  C   LIG    1        4.608   1.757   0.224  0.00  0.00    +0.030 A 
BRANCH  27  30
ATOM     30  O   LIG    1        7.468   0.765  -1.937  0.00  0.00    -0.406 OA
BRANCH  30  31
ATOM     31  C   LIG    1        8.131   1.996  -2.171  0.00  0.00    +0.575 C 
ATOM     32  F   LIG    1        7.322   2.870  -2.807  0.00  0.00    -0.133 F 
ATOM     33  F   LIG    1        9.206   1.768  -2.956  0.00  0.00    -0.133 F 
ATOM     34  F   LIG    1        8.563   2.543  -1.014  0.00  0.00    -0.133 F 
ENDBRANCH  30  31
ENDBRANCH  27  30
ENDBRANCH  21  24
ENDBRANCH   1  18
TORSDOF 9