REMARK  Name = BDB014075
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.372   0.843   0.699  0.00  0.00    -0.299 N 
ATOM      2  C   LIG    1       -0.583  -0.103   1.316  0.00  0.00    +0.123 C 
ATOM      3  C   LIG    1       -1.976   0.534   1.508  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -2.562   1.152   0.299  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -1.569   2.096  -0.261  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -0.170   1.497  -0.515  0.00  0.00    +0.123 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        3.949   0.897  -2.762  0.00  0.00    +0.130 C 
ATOM      8  N   LIG    1        4.524   0.305  -1.556  0.00  0.00    -0.318 N 
ATOM      9  C   LIG    1        3.771   0.268  -0.367  0.00  0.00    +0.133 A 
ATOM     10  N   LIG    1        2.436   0.599  -0.393  0.00  0.00    -0.200 NA
ATOM     11  C   LIG    1        1.722   0.528   0.686  0.00  0.00    +0.200 A 
ATOM     12  N   LIG    1        2.277   0.157   1.874  0.00  0.00    -0.295 N 
ATOM     13  H   LIG    1        1.741   0.220   2.722  0.00  0.00    +0.172 HD
ATOM     14  C   LIG    1        3.600  -0.108   2.020  0.00  0.00    +0.258 A 
ATOM     15  O   LIG    1        4.100  -0.339   3.117  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1        4.388  -0.094   0.777  0.00  0.00    +0.057 A 
ATOM     17  C   LIG    1        5.835  -0.475   0.870  0.00  0.00    +0.045 C 
ATOM     18  C   LIG    1        6.446  -0.763  -0.498  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1        5.988   0.275  -1.514  0.00  0.00    +0.106 C 
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  C   LIG    1       -2.989   0.172  -0.707  0.00  0.00    +0.120 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.197  -0.632  -0.261  0.00  0.00    -0.022 A 
ATOM     22  C   LIG    1       -5.434  -0.024   0.062  0.00  0.00    +0.059 A 
ATOM     23  C   LIG    1       -6.499  -0.841   0.493  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1       -6.358  -2.226   0.582  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -5.148  -2.821   0.248  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.076  -2.032  -0.170  0.00  0.00    +0.005 A 
BRANCH  22  27
ATOM     27  C   LIG    1       -5.655   1.475  -0.005  0.00  0.00    +0.418 C 
ATOM     28  F   LIG    1       -5.069   2.079  -1.077  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1       -5.225   2.135   1.106  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1       -6.981   1.796  -0.114  0.00  0.00    -0.166 F 
ENDBRANCH  22  27
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 4