REMARK  Name = BDB012679
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.562   0.223  -0.292  0.00  0.00    -0.259 N 
ATOM      2  C   LIG    1       -1.282   0.839  -1.489  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1        0.106   0.978  -1.500  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1        0.725   1.585  -2.613  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -0.078   2.025  -3.664  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1       -1.459   1.879  -3.639  0.00  0.00    +0.040 A 
ATOM      7  F   LIG    1        0.498   2.603  -4.726  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1        0.553   0.414  -0.267  0.00  0.00    +0.153 A 
ATOM      9  C   LIG    1       -2.093   1.281  -2.547  0.00  0.00    +0.031 A 
ATOM     10  N   LIG    1       -0.471  -0.049   0.449  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1       -2.882  -0.158   0.220  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -3.168   0.541   1.551  0.00  0.00    +0.032 C 
BRANCH  11  14
ATOM     13  C   LIG    1       -4.418  -2.164   0.614  0.00  0.00    +0.006 C 
ATOM     14  C   LIG    1       -3.006  -1.690   0.303  0.00  0.00    +0.023 C 
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   8  15
ATOM     15  N   LIG    1        1.867   0.365   0.064  0.00  0.00    -0.296 N 
ATOM     16  H   LIG    1        2.528   0.785  -0.596  0.00  0.00    +0.154 HD
BRANCH  15  17
ATOM     17  C   LIG    1        2.512  -0.016   1.263  0.00  0.00    +0.065 A 
ATOM     18  C   LIG    1        3.910  -0.180   1.316  0.00  0.00    +0.083 A 
ATOM     19  C   LIG    1        4.559  -0.537   2.504  0.00  0.00    +0.036 A 
ATOM     20  C   LIG    1        3.780  -0.783   3.615  0.00  0.00    +0.111 A 
ATOM     21  N   LIG    1        2.439  -0.703   3.607  0.00  0.00    -0.261 NA
ATOM     22  C   LIG    1        1.841  -0.324   2.444  0.00  0.00    +0.134 A 
BRANCH  18  23
ATOM     23  C   LIG    1        4.716   0.064   0.097  0.00  0.00    +0.339 C 
ATOM     24  O   LIG    1        4.445   0.944  -0.704  0.00  0.00    -0.245 OA
BRANCH  23  25
ATOM     25  O   LIG    1        5.729  -0.810  -0.072  0.00  0.00    -0.477 OA
ATOM     26  H   LIG    1        5.696  -1.596   0.506  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  18  23
ENDBRANCH  15  17
ENDBRANCH   8  15
TORSDOF 6