REMARK  Name = BDB012678
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.459   0.635   0.383  0.00  0.00    -0.262 N 
ATOM      2  C   LIG    1        1.377   1.417  -0.742  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1        0.042   1.337  -1.133  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -0.375   2.039  -2.282  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        0.569   2.788  -2.983  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1        1.896   2.858  -2.580  0.00  0.00    +0.040 A 
ATOM      7  F   LIG    1        0.184   3.460  -4.077  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -0.585   0.488  -0.168  0.00  0.00    +0.153 A 
ATOM      9  C   LIG    1        2.332   2.169  -1.444  0.00  0.00    +0.031 A 
ATOM     10  N   LIG    1        0.292   0.079   0.750  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   8  11
ATOM     11  N   LIG    1       -1.904   0.184  -0.237  0.00  0.00    -0.296 N 
ATOM     12  H   LIG    1       -2.431   0.595  -1.012  0.00  0.00    +0.154 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -2.730  -0.626   0.578  0.00  0.00    +0.065 A 
ATOM     14  C   LIG    1       -4.106  -0.788   0.301  0.00  0.00    +0.083 A 
ATOM     15  C   LIG    1       -4.911  -1.593   1.119  0.00  0.00    +0.036 A 
ATOM     16  C   LIG    1       -4.328  -2.222   2.200  0.00  0.00    +0.111 A 
ATOM     17  N   LIG    1       -3.025  -2.102   2.508  0.00  0.00    -0.261 NA
ATOM     18  C   LIG    1       -2.266  -1.315   1.699  0.00  0.00    +0.134 A 
BRANCH  14  19
ATOM     19  C   LIG    1       -4.713  -0.102  -0.869  0.00  0.00    +0.339 C 
ATOM     20  O   LIG    1       -4.117   0.616  -1.655  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1       -6.029  -0.339  -1.008  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1       -6.288   0.170  -1.806  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH  14  19
ENDBRANCH  11  13
ENDBRANCH   8  11
BRANCH   1  23
ATOM     23  C   LIG    1        2.641   0.389   1.191  0.00  0.00    +0.147 C 
BRANCH  23  25
ATOM     24  C   LIG    1        2.918  -2.077   0.633  0.00  0.00    +0.009 C 
ATOM     25  C   LIG    1        3.568  -0.692   0.612  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1        4.880  -0.723   1.399  0.00  0.00    +0.009 C 
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 6