REMARK  Name = BDB012713
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.730  -0.648   0.007  0.00  0.00    +0.153 A 
ATOM      2  C   LIG    1       -0.122  -1.908   0.294  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1        1.241  -1.642   0.426  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1        2.181  -2.645   0.714  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1        1.705  -3.951   0.868  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        0.351  -4.230   0.739  0.00  0.00    +0.124 A 
ATOM      7  F   LIG    1       -0.074  -5.491   0.893  0.00  0.00    -0.205 F 
ATOM      8  N   LIG    1        1.355  -0.288   0.217  0.00  0.00    -0.259 N 
ATOM      9  C   LIG    1       -0.579  -3.232   0.454  0.00  0.00    +0.051 A 
ATOM     10  N   LIG    1        0.183   0.322  -0.035  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.576   0.508   0.243  0.00  0.00    +0.112 C 
ATOM     12  C   LIG    1        2.552   1.565   1.352  0.00  0.00    +0.055 C 
ATOM     13  C   LIG    1        3.829   2.389   1.308  0.00  0.00    +0.162 C 
ATOM     14  O   LIG    1        4.012   2.974   0.021  0.00  0.00    -0.380 OA
ATOM     15  C   LIG    1        4.130   2.004  -1.018  0.00  0.00    +0.162 C 
ATOM     16  C   LIG    1        2.870   1.157  -1.113  0.00  0.00    +0.055 C 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -2.066  -0.525  -0.186  0.00  0.00    -0.296 N 
ATOM     18  H   LIG    1       -2.630  -1.374  -0.118  0.00  0.00    +0.154 HD
BRANCH  17  20
ATOM     19  C   LIG    1       -4.279   0.469  -0.637  0.00  0.00    +0.083 A 
ATOM     20  C   LIG    1       -2.882   0.592  -0.476  0.00  0.00    +0.065 A 
ATOM     21  C   LIG    1       -2.381   1.886  -0.626  0.00  0.00    +0.134 A 
ATOM     22  N   LIG    1       -3.122   2.992  -0.904  0.00  0.00    -0.261 NA
ATOM     23  C   LIG    1       -4.446   2.822  -1.047  0.00  0.00    +0.111 A 
ATOM     24  C   LIG    1       -5.065   1.596  -0.925  0.00  0.00    +0.036 A 
BRANCH  19  26
ATOM     25  O   LIG    1       -6.235  -0.937  -0.657  0.00  0.00    -0.245 OA
ATOM     26  C   LIG    1       -5.031  -0.810  -0.522  0.00  0.00    +0.339 C 
BRANCH  26  27
ATOM     27  O   LIG    1       -4.268  -1.887  -0.245  0.00  0.00    -0.477 OA
ATOM     28  H   LIG    1       -4.932  -2.613  -0.211  0.00  0.00    +0.295 HD
ENDBRANCH  26  27
ENDBRANCH  19  26
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 5