REMARK  Name = BDB017078
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.579  -3.520   1.211  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -0.550  -2.517   1.346  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1       -0.066  -1.685   0.357  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        0.904  -0.922   1.004  0.00  0.00    +0.115 A 
ATOM      5  N   LIG    1        1.017  -1.304   2.330  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        0.129  -2.253   2.500  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.547  -1.698  -1.024  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1       -1.833  -1.245  -1.367  0.00  0.00    +0.132 A 
ATOM      9  C   LIG    1       -2.289  -1.308  -2.684  0.00  0.00    +0.084 A 
ATOM     10  C   LIG    1       -1.439  -1.791  -3.670  0.00  0.00    +0.127 A 
ATOM     11  F   LIG    1       -1.866  -1.845  -4.939  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -0.153  -2.223  -3.363  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1        0.292  -2.180  -2.040  0.00  0.00    +0.016 A 
BRANCH   8  14
ATOM     14  O   LIG    1       -2.702  -0.794  -0.405  0.00  0.00    -0.491 OA
BRANCH  14  15
ATOM     15  C   LIG    1       -2.552   0.621  -0.232  0.00  0.00    +0.232 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -3.312   1.015   0.997  0.00  0.00    +0.027 C 
ATOM     17  C   LIG    1       -3.883   2.403   1.134  0.00  0.00    +0.007 C 
ATOM     18  C   LIG    1       -4.803   1.228   0.944  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        1.716   0.154   0.435  0.00  0.00    +0.092 A 
ATOM     20  N   LIG    1        1.383   0.622  -0.794  0.00  0.00    -0.253 NA
ATOM     21  C   LIG    1        2.129   1.620  -1.308  0.00  0.00    +0.112 A 
ATOM     22  C   LIG    1        3.204   2.190  -0.653  0.00  0.00    +0.031 A 
ATOM     23  C   LIG    1        3.542   1.710   0.613  0.00  0.00    +0.026 A 
ATOM     24  C   LIG    1        2.781   0.675   1.164  0.00  0.00    +0.041 A 
BRANCH  23  25
ATOM     25  C   LIG    1        4.665   2.275   1.347  0.00  0.00    +0.204 A 
ATOM     26  N   LIG    1        5.444   3.277   0.899  0.00  0.00    -0.133 NA
ATOM     27  N   LIG    1        6.291   3.397   1.933  0.00  0.00    -0.176 N 
ATOM     28  H   LIG    1        7.041   4.083   1.942  0.00  0.00    +0.214 HD
ATOM     29  N   LIG    1        6.094   2.561   2.956  0.00  0.00    -0.049 NA
ATOM     30  N   LIG    1        5.049   1.832   2.593  0.00  0.00    -0.108 NA
ENDBRANCH  23  25
ENDBRANCH   4  19
TORSDOF 6