REMARK  Name = BDB058927
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.746   0.476   0.159  0.00  0.00    +0.259 A 
ATOM      2  O   LIG    1       -1.407   1.776   0.401  0.00  0.00    -0.332 OA
ATOM      3  N   LIG    1       -0.015   1.832   0.412  0.00  0.00    -0.056 NA
ATOM      4  C   LIG    1        0.358   0.562   0.176  0.00  0.00    +0.202 A 
ATOM      5  N   LIG    1       -0.700  -0.307   0.014  0.00  0.00    -0.187 NA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        1.749   0.122   0.096  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1        2.800   1.045   0.268  0.00  0.00    +0.039 A 
ATOM      8  C   LIG    1        4.107   0.556   0.178  0.00  0.00    +0.067 A 
ATOM      9  C   LIG    1        4.409  -0.778  -0.070  0.00  0.00    +0.089 A 
ATOM     10  N   LIG    1        5.767  -0.975  -0.106  0.00  0.00    -0.236 NA
ATOM     11  C   LIG    1        6.293   0.208   0.115  0.00  0.00    +0.197 A 
ATOM     12  C   LIG    1        3.363  -1.694  -0.241  0.00  0.00    +0.030 A 
ATOM     13  N   LIG    1        5.332   1.163   0.291  0.00  0.00    -0.344 N 
ATOM     14  H   LIG    1        5.496   2.143   0.474  0.00  0.00    +0.167 HD
ATOM     15  C   LIG    1        2.041  -1.231  -0.156  0.00  0.00    +0.014 A 
ENDBRANCH   4   6
BRANCH   1  20
ATOM     16  F   LIG    1       -7.180  -0.849  -0.091  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1       -5.882  -0.525  -0.030  0.00  0.00    +0.123 A 
ATOM     18  C   LIG    1       -5.516   0.792   0.215  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1       -4.161   1.133   0.279  0.00  0.00    +0.016 A 
ATOM     20  C   LIG    1       -3.168   0.155   0.098  0.00  0.00    +0.040 A 
ATOM     21  C   LIG    1       -3.567  -1.170  -0.148  0.00  0.00    +0.016 A 
ATOM     22  C   LIG    1       -4.920  -1.510  -0.212  0.00  0.00    +0.039 A 
ENDBRANCH   1  20
TORSDOF 2