REMARK  Name = BDB031102
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.644  -1.980   1.221  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1       -0.254  -1.673   0.256  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1       -0.817  -2.682  -0.435  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1       -0.458  -4.010  -0.200  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        0.463  -4.311   0.799  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        1.021  -3.277   1.536  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1        2.675   1.679  -0.347  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1        2.092   0.514   0.003  0.00  0.00    +0.102 A 
ATOM      9  N   LIG    1        1.798   0.252   1.343  0.00  0.00    -0.298 N 
ATOM     10  C   LIG    1        2.127   1.131   2.374  0.00  0.00    +0.138 A 
ATOM     11  N   LIG    1        1.801   0.646   3.553  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1        1.221  -0.567   3.289  0.00  0.00    +0.141 A 
ATOM     13  C   LIG    1        2.751   2.357   2.013  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        1.184  -0.838   1.934  0.00  0.00    +0.091 A 
ATOM     15  C   LIG    1        3.011   2.625   0.719  0.00  0.00    +0.014 A 
BRANCH   7  17
ATOM     16  F   LIG    1        2.835   1.014  -2.620  0.00  0.00    -0.204 F 
ATOM     17  C   LIG    1        2.993   2.060  -1.764  0.00  0.00    +0.373 C 
ATOM     18  F   LIG    1        4.292   2.448  -1.884  0.00  0.00    -0.204 F 
ENDBRANCH   7  17
ENDBRANCH   1  14
BRANCH   3  19
ATOM     19  N   LIG    1       -1.759  -2.431  -1.464  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1       -2.499  -3.124  -1.380  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.308  -1.166  -1.863  0.00  0.00    +0.073 C 
ATOM     22  C   LIG    1       -1.303  -0.029  -2.162  0.00  0.00    +0.031 C 
ATOM     23  C   LIG    1       -2.183   0.858  -1.310  0.00  0.00    -0.001 C 
ATOM     24  C   LIG    1       -1.565   1.888  -0.409  0.00  0.00    +0.089 C 
ATOM     25  N   LIG    1       -1.950   2.912  -1.417  0.00  0.00    -0.315 NA
ATOM     26  H   LIG    1       -2.346   3.764  -1.021  0.00  0.00    +0.122 HD
ATOM     27  C   LIG    1       -2.952   1.968  -1.979  0.00  0.00    +0.089 C 
ATOM     28  C   LIG    1       -2.928  -0.314  -0.727  0.00  0.00    +0.031 C 
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 4