REMARK  Name = BDB019075
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.295   0.154  -0.211  0.00  0.00    +0.029 A 
ATOM      2  C   LIG    1       -1.682   1.076   0.680  0.00  0.00    +0.078 A 
ATOM      3  N   LIG    1       -0.315   1.226   0.594  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1        0.041   2.134   1.558  0.00  0.00    +0.206 A 
ATOM      5  N   LIG    1       -1.001   2.579   2.228  0.00  0.00    -0.243 NA
ATOM      6  C   LIG    1        0.484   0.521  -0.329  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.085  -0.337  -1.135  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1       -2.079   1.918   1.694  0.00  0.00    +0.139 A 
ATOM      9  C   LIG    1       -1.456  -0.492  -1.053  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -4.626   2.209  -1.089  0.00  0.00    +0.068 C 
ATOM     11  C   LIG    1       -4.738   0.806  -0.619  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1       -3.706  -0.089  -0.240  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1       -4.345  -1.263   0.115  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1       -3.827  -2.560   0.618  0.00  0.00    +0.066 C 
ATOM     15  N   LIG    1       -5.681  -1.015  -0.081  0.00  0.00    -0.271 N 
ATOM     16  C   LIG    1       -6.782  -1.924   0.141  0.00  0.00    +0.172 C 
ATOM     17  N   LIG    1       -5.943   0.232  -0.512  0.00  0.00    -0.176 NA
ENDBRANCH   1  12
BRANCH   6  18
ATOM     18  N   LIG    1        1.844   0.753  -0.350  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1        2.160   1.659  -0.025  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.670   0.228  -1.425  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.117   0.397  -1.064  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        4.752  -0.425  -0.136  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        4.239  -1.604   0.603  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1        5.374  -1.776   1.613  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1        6.570  -1.153   1.090  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1        6.094  -0.250   0.176  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1        6.863   0.737  -0.406  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        6.245   1.585  -1.324  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        4.890   1.413  -1.640  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1        4.328   2.253  -2.521  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4