REMARK  Name = BDB017084
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.950   1.647   0.676  0.00  0.00    -0.332 N 
ATOM      2  C   LIG    1        0.296   1.100   0.518  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        0.736   1.543  -0.715  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1       -0.221   2.361  -1.285  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -1.214   2.403  -0.428  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.018   1.224  -1.341  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        2.437   2.068  -2.316  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        3.613   1.804  -2.917  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        4.414   0.726  -2.593  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        3.982  -0.142  -1.589  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        2.761   0.113  -0.956  0.00  0.00    +0.041 A 
BRANCH  10  12
ATOM     12  C   LIG    1        4.783  -1.295  -1.206  0.00  0.00    +0.204 A 
ATOM     13  N   LIG    1        5.957  -1.635  -1.768  0.00  0.00    -0.133 NA
ATOM     14  N   LIG    1        6.249  -2.737  -1.060  0.00  0.00    -0.176 N 
ATOM     15  H   LIG    1        7.093  -3.278  -1.222  0.00  0.00    +0.214 HD
ATOM     16  N   LIG    1        5.362  -3.085  -0.122  0.00  0.00    -0.049 NA
ATOM     17  N   LIG    1        4.412  -2.165  -0.205  0.00  0.00    -0.108 NA
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  C   LIG    1       -1.812   1.512   1.838  0.00  0.00    +0.161 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -3.614  -0.140   1.112  0.00  0.00    +0.135 A 
ATOM     20  C   LIG    1       -2.474   0.154   1.887  0.00  0.00    +0.014 A 
ATOM     21  C   LIG    1       -1.922  -0.844   2.710  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1       -2.494  -2.113   2.769  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -3.621  -2.398   2.006  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -4.179  -1.418   1.182  0.00  0.00    +0.046 A 
BRANCH  19  25
ATOM     25  O   LIG    1       -4.086   0.888   0.342  0.00  0.00    -0.405 OA
BRANCH  25  27
ATOM     26  F   LIG    1       -6.286   0.308   0.185  0.00  0.00    -0.133 F 
ATOM     27  C   LIG    1       -5.183   0.635  -0.521  0.00  0.00    +0.575 C 
ATOM     28  F   LIG    1       -4.901  -0.346  -1.403  0.00  0.00    -0.133 F 
ATOM     29  F   LIG    1       -5.451   1.764  -1.214  0.00  0.00    -0.133 F 
ENDBRANCH  25  27
ENDBRANCH  19  25
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6