REMARK  Name = BDB018715
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -5.155   0.339  -0.033  0.00  0.00    -0.267 N 
ATOM      2  C   LIG    1       -4.162  -0.388  -0.894  0.00  0.00    +0.151 C 
ATOM      3  C   LIG    1       -2.772  -0.159  -0.259  0.00  0.00    +0.128 C 
ATOM      4  C   LIG    1       -2.292  -1.438   0.485  0.00  0.00    +0.242 C 
ATOM      5  O   LIG    1       -3.053  -2.257   0.999  0.00  0.00    -0.273 OA
ATOM      6  N   LIG    1       -0.932  -1.565   0.666  0.00  0.00    -0.281 N 
ATOM      7  H   LIG    1       -0.616  -2.337   1.237  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1       -0.017  -0.707   0.040  0.00  0.00    +0.074 A 
ATOM      9  C   LIG    1       -0.465   0.242  -0.887  0.00  0.00    +0.141 A 
ATOM     10  N   LIG    1        0.362   1.113  -1.484  0.00  0.00    -0.238 NA
ATOM     11  C   LIG    1        1.680   1.022  -1.169  0.00  0.00    +0.121 A 
ATOM     12  C   LIG    1        2.234   0.101  -0.276  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        1.341  -0.787   0.337  0.00  0.00    +0.036 A 
ATOM     14  N   LIG    1       -1.800   0.271  -1.280  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1       -1.985   1.133  -1.785  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1       -3.014   0.970   0.751  0.00  0.00    +0.056 C 
ATOM     17  C   LIG    1       -4.449   0.754   1.201  0.00  0.00    +0.119 C 
ENDROOT
BRANCH  12  18
ATOM     18  C   LIG    1        3.676   0.067   0.008  0.00  0.00    -0.016 A 
ATOM     19  C   LIG    1        4.363   1.229   0.405  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1        5.734   1.196   0.677  0.00  0.00    +0.039 A 
ATOM     21  C   LIG    1        6.428  -0.000   0.552  0.00  0.00    +0.123 A 
ATOM     22  F   LIG    1        7.741  -0.032   0.812  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1        5.778  -1.163   0.161  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1        4.408  -1.129  -0.109  0.00  0.00    +0.011 A 
ENDBRANCH  12  18
BRANCH   1  26
ATOM     25  N   LIG    1       -7.615  -0.075  -0.139  0.00  0.00    -0.174 NA
ATOM     26  C   LIG    1       -6.475   0.115  -0.091  0.00  0.00    +0.169 C 
ENDBRANCH   1  26
TORSDOF 2