REMARK  Name = BDB014752
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.538   4.138   2.565  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.684   3.471   1.845  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.397   2.318   1.125  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.010   1.911   0.811  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.958   0.493   0.370  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.859  -0.361   0.082  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.293  -1.571  -0.287  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.636  -1.500  -0.242  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -3.080  -0.275   0.143  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -4.476   0.190   0.318  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.480   1.732   0.306  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -4.818   3.947   1.921  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.426   0.065   0.178  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        0.582   1.023   0.460  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.656  -0.613   0.006  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        2.848   0.136   0.062  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        4.119  -0.448  -0.109  0.00  0.00    -0.013 A 
ATOM     18  C   LIG    1        4.174  -1.829  -0.348  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1        3.007  -2.588  -0.419  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        1.762  -1.982  -0.248  0.00  0.00    +0.023 A 
BRANCH  17  21
ATOM     21  C   LIG    1        5.348   0.365  -0.050  0.00  0.00    +0.017 A 
ATOM     22  C   LIG    1        5.591   1.273   0.994  0.00  0.00    +0.131 A 
ATOM     23  F   LIG    1        4.697   1.424   1.984  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1        6.756   2.039   1.048  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1        7.714   1.915   0.046  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        7.501   1.026  -1.005  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        6.331   0.260  -1.052  0.00  0.00    +0.011 A 
ENDBRANCH  17  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  28
ATOM     28  C   LIG    1       -3.429  -2.678  -0.569  0.00  0.00    +0.147 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.805  -2.716  -2.022  0.00  0.00    +0.010 C 
ATOM     30  C   LIG    1       -4.134  -4.030  -2.686  0.00  0.00    +0.005 C 
ATOM     31  C   LIG    1       -2.865  -3.305  -3.044  0.00  0.00    +0.005 C 
ENDBRANCH  28  29
ENDBRANCH   8  28
TORSDOF 5