REMARK  Name = BDB003208
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.050   3.111  -0.303  0.00  0.00    +0.066 C 
ATOM      2  C   LIG    1       -1.575   1.727  -0.102  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1       -0.892   0.594   0.151  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -1.927  -0.468   0.321  0.00  0.00    +0.281 A 
ATOM      5  O   LIG    1       -1.692  -1.633   0.594  0.00  0.00    -0.265 OA
ATOM      6  N   LIG    1       -3.161   0.165   0.125  0.00  0.00    -0.219 N 
ATOM      7  N   LIG    1       -2.947   1.517  -0.176  0.00  0.00    -0.294 N 
ATOM      8  H   LIG    1       -3.463   2.147   0.441  0.00  0.00    +0.187 HD
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -4.466  -0.376   0.127  0.00  0.00    +0.067 A 
ATOM     10  C   LIG    1       -5.569   0.411  -0.243  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -6.866  -0.114  -0.235  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -7.081  -1.435   0.142  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -6.000  -2.232   0.507  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -4.703  -1.706   0.497  0.00  0.00    +0.028 A 
ENDBRANCH   6   9
BRANCH   3  15
ATOM     15  C   LIG    1        0.563   0.447   0.288  0.00  0.00    +0.145 C 
ATOM     16  N   LIG    1        1.151  -0.690   0.476  0.00  0.00    -0.187 NA
BRANCH  16  17
ATOM     17  N   LIG    1        2.520  -0.727   0.543  0.00  0.00    -0.203 N 
ATOM     18  H   LIG    1        2.864  -1.638   0.833  0.00  0.00    +0.178 HD
ATOM     19  C   LIG    1        3.385   0.096  -0.170  0.00  0.00    +0.263 C 
ATOM     20  O   LIG    1        3.062   1.038  -0.887  0.00  0.00    -0.268 OA
BRANCH  19  21
ATOM     21  C   LIG    1        4.829  -0.254  -0.052  0.00  0.00    +0.041 A 
ATOM     22  C   LIG    1        5.675   0.048  -1.124  0.00  0.00    +0.051 A 
ATOM     23  C   LIG    1        7.026  -0.263  -1.038  0.00  0.00    +0.124 A 
ATOM     24  F   LIG    1        7.835   0.019  -2.068  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1        7.555  -0.863   0.100  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1        6.720  -1.151   1.179  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        5.358  -0.845   1.107  0.00  0.00    +0.013 A 
ENDBRANCH  19  21
ENDBRANCH  16  17
ENDBRANCH   3  15
TORSDOF 4