REMARK  Name = BDB012717
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.378  -0.342  -0.189  0.00  0.00    +0.153 A 
ATOM      2  C   LIG    1        0.070  -1.533  -0.838  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1        1.361  -1.249  -1.281  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1        2.147  -2.182  -1.975  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1        1.587  -3.439  -2.219  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        0.302  -3.737  -1.784  0.00  0.00    +0.124 A 
ATOM      7  F   LIG    1       -0.207  -4.952  -2.034  0.00  0.00    -0.205 F 
ATOM      8  N   LIG    1        1.596   0.046  -0.878  0.00  0.00    -0.257 N 
ATOM      9  C   LIG    1       -0.474  -2.807  -1.095  0.00  0.00    +0.051 A 
ATOM     10  N   LIG    1        0.560   0.604  -0.229  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.818   0.805  -1.114  0.00  0.00    +0.136 C 
ATOM     12  C   LIG    1        3.897   0.459  -0.093  0.00  0.00    +0.186 C 
ATOM     13  O   LIG    1        4.039   1.571   0.808  0.00  0.00    -0.378 OA
ATOM     14  C   LIG    1        3.027   2.533   0.490  0.00  0.00    +0.162 C 
ATOM     15  C   LIG    1        2.692   2.312  -0.968  0.00  0.00    +0.057 C 
ENDBRANCH   8  11
BRANCH   1  16
ATOM     16  N   LIG    1       -1.609  -0.253   0.372  0.00  0.00    -0.296 N 
ATOM     17  H   LIG    1       -2.209  -1.078   0.323  0.00  0.00    +0.154 HD
BRANCH  16  19
ATOM     18  C   LIG    1       -3.574   0.652   1.560  0.00  0.00    +0.083 A 
ATOM     19  C   LIG    1       -2.266   0.799   1.050  0.00  0.00    +0.065 A 
ATOM     20  C   LIG    1       -1.684   2.049   1.267  0.00  0.00    +0.134 A 
ATOM     21  N   LIG    1       -2.272   3.095   1.909  0.00  0.00    -0.261 NA
ATOM     22  C   LIG    1       -3.516   2.903   2.375  0.00  0.00    +0.111 A 
ATOM     23  C   LIG    1       -4.202   1.716   2.228  0.00  0.00    +0.036 A 
BRANCH  18  25
ATOM     24  O   LIG    1       -5.518  -0.735   1.877  0.00  0.00    -0.245 OA
ATOM     25  C   LIG    1       -4.388  -0.589   1.446  0.00  0.00    +0.339 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -3.776  -1.604   0.804  0.00  0.00    -0.477 OA
ATOM     27  H   LIG    1       -4.457  -2.314   0.834  0.00  0.00    +0.295 HD
ENDBRANCH  25  26
ENDBRANCH  18  25
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5