REMARK  Name = BDB012682
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.032  -0.575  -0.609  0.00  0.00    +0.153 A 
ATOM      2  C   LIG    1       -0.623  -1.925  -0.842  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1        0.753  -1.862  -1.054  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1        1.534  -2.997  -1.321  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1        0.878  -4.230  -1.371  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.493  -4.310  -1.161  0.00  0.00    +0.124 A 
ATOM      7  F   LIG    1       -1.092  -5.508  -1.215  0.00  0.00    -0.205 F 
ATOM      8  N   LIG    1        1.065  -0.531  -0.931  0.00  0.00    -0.262 N 
ATOM      9  C   LIG    1       -1.264  -3.179  -0.896  0.00  0.00    +0.051 A 
ATOM     10  N   LIG    1        0.007   0.258  -0.678  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1       -2.326  -0.256  -0.360  0.00  0.00    -0.296 N 
ATOM     12  H   LIG    1       -2.998  -1.027  -0.354  0.00  0.00    +0.154 HD
BRANCH  11  14
ATOM     13  C   LIG    1       -4.349   1.066   0.132  0.00  0.00    +0.083 A 
ATOM     14  C   LIG    1       -2.957   0.983  -0.090  0.00  0.00    +0.065 A 
ATOM     15  C   LIG    1       -2.272   2.196  -0.025  0.00  0.00    +0.134 A 
ATOM     16  N   LIG    1       -2.840   3.406   0.230  0.00  0.00    -0.261 NA
ATOM     17  C   LIG    1       -4.168   3.429   0.434  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1       -4.960   2.300   0.396  0.00  0.00    +0.036 A 
BRANCH  13  20
ATOM     19  O   LIG    1       -4.768  -1.292  -0.122  0.00  0.00    -0.245 OA
ATOM     20  C   LIG    1       -5.182  -0.164   0.088  0.00  0.00    +0.339 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -6.489   0.064   0.307  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1       -6.907  -0.822   0.249  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH  13  20
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   8  23
ATOM     23  C   LIG    1        2.377   0.076  -1.074  0.00  0.00    +0.147 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.240  -0.047   0.193  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1        2.766   0.838   1.348  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1        3.326   2.223   1.040  0.00  0.00    +0.000 C 
ATOM     27  C   LIG    1        4.548   1.995   0.151  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1        4.655   0.485  -0.042  0.00  0.00    +0.005 C 
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 6