REMARK  Name = BDB015727
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.859  -0.698   0.509  0.00  0.00    +0.081 A 
ATOM      2  N   LIG    1       -0.822  -1.523   0.741  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.396  -0.975   0.677  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1        0.655   0.321   0.443  0.00  0.00    -0.179 NA
ATOM      5  C   LIG    1       -0.388   1.129   0.219  0.00  0.00    +0.130 A 
ATOM      6  C   LIG    1       -1.684   0.646   0.236  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1       -4.673  -4.559  -0.438  0.00  0.00    +0.152 C 
ATOM      8  N   LIG    1       -4.604  -3.203   0.082  0.00  0.00    -0.318 N 
ATOM      9  C   LIG    1       -5.764  -2.593   0.547  0.00  0.00    +0.251 A 
ATOM     10  O   LIG    1       -6.882  -3.100   0.553  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1       -5.595  -1.215   1.077  0.00  0.00    +0.071 A 
ATOM     12  C   LIG    1       -4.392  -0.626   1.072  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1       -3.215  -1.304   0.547  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1       -3.372  -2.562   0.091  0.00  0.00    +0.098 A 
ENDBRANCH   1  13
BRANCH   5  15
ATOM     15  N   LIG    1       -0.202   2.506  -0.060  0.00  0.00    -0.299 N 
ATOM     16  H   LIG    1       -0.818   3.063   0.522  0.00  0.00    +0.154 HD
BRANCH  15  17
ATOM     17  C   LIG    1        1.006   3.187  -0.332  0.00  0.00    +0.032 A 
ATOM     18  C   LIG    1        1.088   4.564  -0.070  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1        2.247   5.289  -0.366  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        3.337   4.651  -0.951  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        3.261   3.294  -1.252  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        2.100   2.575  -0.956  0.00  0.00    +0.023 A 
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   3  23
ATOM     23  O   LIG    1        1.447  -1.841   0.955  0.00  0.00    -0.421 OA
BRANCH  23  24
ATOM     24  C   LIG    1        2.677  -1.442   0.496  0.00  0.00    +0.167 A 
ATOM     25  C   LIG    1        2.975  -1.450  -0.869  0.00  0.00    +0.168 A 
ATOM     26  F   LIG    1        2.051  -1.833  -1.762  0.00  0.00    -0.202 F 
ATOM     27  C   LIG    1        4.230  -1.063  -1.321  0.00  0.00    +0.080 A 
ATOM     28  C   LIG    1        5.188  -0.679  -0.391  0.00  0.00    +0.126 A 
ATOM     29  F   LIG    1        6.401  -0.299  -0.815  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        4.914  -0.688   0.976  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1        3.653  -1.081   1.426  0.00  0.00    +0.052 A 
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 5