REMARK  Name = BDB016604
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.623  -3.673  -1.261  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -0.547  -2.713  -1.212  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1       -0.340  -1.751  -0.246  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        0.817  -1.098  -0.662  0.00  0.00    +0.115 A 
ATOM      5  N   LIG    1        1.307  -1.670  -1.824  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        0.463  -2.627  -2.126  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.203  -1.566   0.919  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1       -2.501  -1.036   0.817  0.00  0.00    +0.132 A 
ATOM      9  C   LIG    1       -3.324  -0.939   1.939  0.00  0.00    +0.084 A 
ATOM     10  C   LIG    1       -2.833  -1.331   3.177  0.00  0.00    +0.127 A 
ATOM     11  F   LIG    1       -3.614  -1.228   4.260  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -1.543  -1.832   3.311  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1       -0.730  -1.953   2.183  0.00  0.00    +0.016 A 
BRANCH   8  14
ATOM     14  O   LIG    1       -3.044  -0.646  -0.381  0.00  0.00    -0.491 OA
BRANCH  14  15
ATOM     15  C   LIG    1       -2.527   0.632  -0.781  0.00  0.00    +0.232 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -3.599   1.336  -1.558  0.00  0.00    +0.027 C 
ATOM     17  C   LIG    1       -4.668   2.124  -0.846  0.00  0.00    +0.007 C 
ATOM     18  C   LIG    1       -3.617   2.841  -1.649  0.00  0.00    +0.007 C 
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   8  14
ENDBRANCH   3   7
BRANCH   4  19
ATOM     19  C   LIG    1        1.468   0.044  -0.023  0.00  0.00    +0.092 A 
ATOM     20  N   LIG    1        0.749   0.761   0.874  0.00  0.00    -0.253 NA
ATOM     21  C   LIG    1        1.343   1.834   1.433  0.00  0.00    +0.112 A 
ATOM     22  C   LIG    1        2.635   2.233   1.144  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1        3.375   1.485   0.227  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1        2.773   0.378  -0.374  0.00  0.00    +0.040 A 
BRANCH  23  25
ATOM     25  C   LIG    1        4.728   1.899  -0.093  0.00  0.00    +0.130 A 
ATOM     26  C   LIG    1        5.828   1.117  -0.369  0.00  0.00    +0.163 A 
ATOM     27  N   LIG    1        6.828   2.019  -0.580  0.00  0.00    -0.247 N 
ATOM     28  H   LIG    1        7.803   1.860  -0.813  0.00  0.00    +0.191 HD
ATOM     29  N   LIG    1        6.399   3.279  -0.422  0.00  0.00    -0.067 NA
ATOM     30  N   LIG    1        5.110   3.220  -0.115  0.00  0.00    -0.128 NA
BRANCH  26  31
ATOM     31  C   LIG    1        6.013  -0.281  -0.413  0.00  0.00    +0.121 C 
ATOM     32  N   LIG    1        6.210  -1.422  -0.455  0.00  0.00    -0.189 NA
ENDBRANCH  26  31
ENDBRANCH  23  25
ENDBRANCH   4  19
TORSDOF 7