REMARK  Name = BDB053724
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.111  -0.013   0.535  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1       -2.179   0.842   0.233  0.00  0.00    -0.264 N 
ATOM      3  C   LIG    1       -1.711   2.155   0.331  0.00  0.00    +0.149 A 
ATOM      4  C   LIG    1       -0.392   2.124   0.778  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1        0.247   3.354   1.030  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1       -0.464   4.527   0.802  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1       -1.767   4.431   0.348  0.00  0.00    +0.113 A 
ATOM      8  N   LIG    1       -2.428   3.283   0.104  0.00  0.00    -0.237 NA
ATOM      9  C   LIG    1       -0.013   0.761   0.897  0.00  0.00    +0.108 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        1.260   0.241   1.373  0.00  0.00    +0.252 C 
ATOM     11  N   LIG    1        2.393   0.523   0.615  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        2.391   1.114  -0.729  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        3.564   0.607  -1.588  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        4.896   0.792  -0.992  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        5.309   1.666  -1.317  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        4.861   0.799   0.481  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        3.683   0.025   1.095  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        1.315  -0.410   2.414  0.00  0.00    -0.270 OA
ENDBRANCH   9  10
BRANCH   2  19
ATOM     19  C   LIG    1       -3.511   0.441  -0.136  0.00  0.00    +0.051 A 
ATOM     20  C   LIG    1       -4.044  -0.779   0.307  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -5.337  -1.169  -0.060  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -6.113  -0.345  -0.869  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -5.601   0.871  -1.308  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -4.309   1.265  -0.943  0.00  0.00    +0.026 A 
ENDBRANCH   2  19
BRANCH   1  25
ATOM     25  O   LIG    1       -1.252  -1.343   0.431  0.00  0.00    -0.438 OA
BRANCH  25  28
ATOM     26  C   LIG    1       -0.239  -3.477   2.044  0.00  0.00    +0.050 C 
ATOM     27  C   LIG    1        0.281  -3.167   0.672  0.00  0.00    +0.027 A 
ATOM     28  C   LIG    1       -0.238  -2.112  -0.091  0.00  0.00    +0.139 A 
ATOM     29  C   LIG    1        0.214  -1.878  -1.392  0.00  0.00    +0.085 A 
ATOM     30  C   LIG    1        1.218  -2.681  -1.917  0.00  0.00    +0.130 A 
ATOM     31  F   LIG    1        1.667  -2.443  -3.156  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1        1.761  -3.723  -1.181  0.00  0.00    +0.077 A 
ATOM     33  C   LIG    1        1.279  -3.963   0.101  0.00  0.00    +0.132 A 
ATOM     34  F   LIG    1        1.792  -4.991   0.793  0.00  0.00    -0.205 F 
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 4