REMARK  Name = BDB018965
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.910   1.887   2.142  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1        5.596   0.819   1.222  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1        5.878   0.979   0.270  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1        4.410   0.141   1.361  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1        4.191  -0.860   0.434  0.00  0.00    -0.278 N 
ATOM      6  C   LIG    1        2.862  -1.454   0.377  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1        2.003  -0.794  -0.674  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        2.355  -0.814  -2.029  0.00  0.00    +0.125 A 
ATOM      9  C   LIG    1        1.509  -0.271  -2.996  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        0.317   0.345  -2.613  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -0.050   0.409  -1.261  0.00  0.00    -0.017 A 
ATOM     12  O   LIG    1        3.507  -1.403  -2.481  0.00  0.00    -0.490 OA
ATOM     13  C   LIG    1        4.675  -0.724  -1.992  0.00  0.00    +0.248 C 
ATOM     14  C   LIG    1        0.803  -0.163  -0.302  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        5.109  -1.271  -0.633  0.00  0.00    +0.150 C 
ATOM     16  O   LIG    1        3.614   0.409   2.257  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.307   1.054  -0.855  0.00  0.00    -0.009 A 
ATOM     18  C   LIG    1       -2.462   0.314  -0.486  0.00  0.00    +0.033 A 
ATOM     19  C   LIG    1       -3.611   1.013  -0.045  0.00  0.00    -0.006 A 
ATOM     20  C   LIG    1       -3.617   2.418  -0.035  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1       -2.495   3.139  -0.426  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -1.348   2.461  -0.825  0.00  0.00    +0.009 A 
BRANCH  19  23
ATOM     23  C   LIG    1       -4.811   0.348   0.422  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -4.870  -0.494   1.512  0.00  0.00    +0.116 A 
ATOM     25  N   LIG    1       -6.175  -0.874   1.627  0.00  0.00    -0.274 N 
ATOM     26  C   LIG    1       -6.731  -1.782   2.599  0.00  0.00    +0.172 C 
ATOM     27  N   LIG    1       -6.986  -0.295   0.720  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1       -6.151   0.445  -0.016  0.00  0.00    +0.142 A 
ENDBRANCH  19  23
BRANCH  18  29
ATOM     29  C   LIG    1       -2.442  -1.199  -0.550  0.00  0.00    +0.373 C 
ATOM     30  F   LIG    1       -2.188  -1.771   0.662  0.00  0.00    -0.204 F 
ATOM     31  F   LIG    1       -3.607  -1.753  -0.995  0.00  0.00    -0.204 F 
ENDBRANCH  18  29
ENDBRANCH  11  17
TORSDOF 3