REMARK  Name = BDB027711
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.969  -0.348   0.457  0.00  0.00    +0.166 A 
ATOM      2  N   LIG    1       -2.510  -1.568   0.586  0.00  0.00    -0.226 NA
ATOM      3  C   LIG    1       -1.708  -2.611   0.327  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1       -0.375  -2.467  -0.061  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        0.410  -3.620  -0.294  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1       -0.168  -4.867  -0.149  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -1.452  -5.042   0.207  0.00  0.00    -0.261 NA
ATOM      8  C   LIG    1        0.084  -1.142  -0.172  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1       -2.174  -3.913   0.435  0.00  0.00    +0.139 A 
ATOM     10  N   LIG    1       -0.709  -0.091   0.093  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -2.664   2.172   0.404  0.00  0.00    +0.176 A 
ATOM     12  C   LIG    1       -2.823   0.791   0.727  0.00  0.00    +0.068 A 
ATOM     13  C   LIG    1       -4.034   0.723   1.387  0.00  0.00    +0.117 A 
ATOM     14  N   LIG    1       -4.514   1.993   1.442  0.00  0.00    -0.283 N 
ATOM     15  H   LIG    1       -5.381   2.319   1.860  0.00  0.00    +0.188 HD
ATOM     16  N   LIG    1       -3.713   2.895   0.859  0.00  0.00    -0.169 NA
BRANCH  11  18
ATOM     17  F   LIG    1       -1.266   2.159  -1.529  0.00  0.00    -0.164 F 
ATOM     18  C   LIG    1       -1.520   2.796  -0.353  0.00  0.00    +0.437 C 
ATOM     19  F   LIG    1       -0.361   2.797   0.359  0.00  0.00    -0.164 F 
ATOM     20  F   LIG    1       -1.754   4.099  -0.684  0.00  0.00    -0.164 F 
ENDBRANCH  11  18
ENDBRANCH   1  12
BRANCH   8  21
ATOM     21  N   LIG    1        1.420  -0.916  -0.573  0.00  0.00    -0.326 N 
ATOM     22  H   LIG    1        1.544  -1.334  -1.492  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        1.876   0.471  -0.552  0.00  0.00    +0.072 C 
ATOM     24  C   LIG    1        3.230   0.590  -1.253  0.00  0.00    +0.022 C 
ATOM     25  C   LIG    1        3.822   1.888  -0.714  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1        3.158   2.123   0.641  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1        2.221   0.941   0.860  0.00  0.00    +0.022 C 
ENDBRANCH  21  23
ENDBRANCH   8  21
TORSDOF 4