REMARK  Name = BDB021298
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.107   2.036  -2.413  0.00  0.00    +0.159 A 
ATOM      2  N   LIG    1       -2.217   1.517  -1.800  0.00  0.00    -0.215 NA
ATOM      3  C   LIG    1       -1.766   0.860  -0.742  0.00  0.00    +0.164 A 
ATOM      4  N   LIG    1       -0.389   0.952  -0.657  0.00  0.00    -0.269 N 
ATOM      5  C   LIG    1        0.364   0.343   0.365  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1       -0.250  -0.361   1.272  0.00  0.00    -0.222 NA
ATOM      7  C   LIG    1       -1.622  -0.460   1.198  0.00  0.00    +0.141 A 
ATOM      8  C   LIG    1       -2.442   0.092   0.271  0.00  0.00    +0.092 A 
ATOM      9  C   LIG    1        0.039   1.700  -1.732  0.00  0.00    +0.135 A 
ENDROOT
BRANCH   8  10
ATOM     10  N   LIG    1       -3.842  -0.065   0.283  0.00  0.00    -0.323 N 
ATOM     11  C   LIG    1       -4.533  -1.142   1.024  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -5.836  -1.570   0.315  0.00  0.00    +0.100 C 
ATOM     13  N   LIG    1       -6.831  -0.498   0.139  0.00  0.00    -0.313 NA
ATOM     14  H   LIG    1       -7.338  -0.672  -0.729  0.00  0.00    +0.122 HD
ATOM     15  C   LIG    1       -6.178   0.821   0.066  0.00  0.00    +0.100 C 
ATOM     16  C   LIG    1       -4.739   0.819  -0.498  0.00  0.00    +0.120 C 
ENDBRANCH   8  10
BRANCH   1  18
ATOM     17  N   LIG    1       -1.246   3.444  -4.585  0.00  0.00    -0.189 NA
ATOM     18  C   LIG    1       -1.204   2.810  -3.613  0.00  0.00    +0.121 C 
ENDBRANCH   1  18
BRANCH   5  19
ATOM     19  N   LIG    1        1.734   0.506   0.367  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        2.098   1.332  -0.095  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.529   0.114   1.519  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.983   0.149   1.151  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1        4.582  -0.856   0.397  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        4.019  -2.127  -0.119  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1        5.149  -2.531  -1.067  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1        6.370  -1.875  -0.655  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1        5.932  -0.800   0.072  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1        6.742   0.244   0.471  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1        6.160   1.273   1.211  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1        4.798   1.220   1.538  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1        4.270   2.233   2.240  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   5  19
TORSDOF 5