REMARK  Name = BDB006808
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.785  -1.687   0.247  0.00  0.00    -0.311 N 
ATOM      2  H   LIG    1       -2.359  -1.722  -0.585  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -1.883  -0.600   1.091  0.00  0.00    +0.244 C 
ATOM      4  O   LIG    1       -1.085  -0.368   1.992  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -3.004   0.342   0.831  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -2.833   1.686   1.176  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1       -3.864   2.587   0.945  0.00  0.00    +0.124 A 
ATOM      8  F   LIG    1       -3.697   3.877   1.267  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1       -5.068   2.174   0.385  0.00  0.00    +0.038 A 
ATOM     10  C   LIG    1       -5.251   0.832   0.054  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -4.222  -0.087   0.280  0.00  0.00    +0.013 A 
ENDBRANCH   3   5
BRANCH   1  12
ATOM     12  C   LIG    1       -0.693  -2.635   0.347  0.00  0.00    +0.106 C 
BRANCH  12  13
ATOM     13  C   LIG    1        0.446  -2.337  -0.628  0.00  0.00    +0.034 C 
BRANCH  13  14
ATOM     14  C   LIG    1        1.208  -1.053  -0.282  0.00  0.00    +0.083 C 
BRANCH  14  15
ATOM     15  N   LIG    1        2.325  -0.892  -1.219  0.00  0.00    -0.311 NA
ATOM     16  H   LIG    1        2.933  -1.708  -1.152  0.00  0.00    +0.122 HD
BRANCH  15  18
ATOM     17  C   LIG    1        2.302   1.608  -1.213  0.00  0.00    +0.027 C 
ATOM     18  C   LIG    1        3.137   0.328  -1.042  0.00  0.00    +0.011 C 
ATOM     19  C   LIG    1        3.855   0.347   0.318  0.00  0.00    +0.027 C 
ATOM     20  C   LIG    1        4.203   0.294  -2.155  0.00  0.00    +0.027 C 
ENDBRANCH  15  18
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   1  12
TORSDOF 6