REMARK  Name = BDB009197
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.596   1.173  -0.539  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -1.686   0.612  -1.217  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -2.875   1.336  -1.381  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -2.948   2.640  -0.872  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.868   3.198  -0.184  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.694   2.465  -0.009  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        1.820   1.053  -0.449  0.00  0.00    -0.282 N 
ATOM      8  H   LIG    1        1.759   2.027  -0.713  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        0.633   0.348  -0.372  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1        0.498  -0.860  -0.217  0.00  0.00    -0.270 OA
BRANCH   7  14
ATOM     11  C   LIG    1        5.830  -0.306   0.005  0.00  0.00    -0.042 A 
ATOM     12  C   LIG    1        5.518   1.014  -0.348  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1        4.188   1.434  -0.492  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1        3.127   0.547  -0.290  0.00  0.00    +0.034 A 
ATOM     15  C   LIG    1        3.419  -0.765   0.064  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        4.750  -1.184   0.208  0.00  0.00    +0.006 A 
BRANCH  11  18
ATOM     17  C   LIG    1        7.484  -1.319   1.613  0.00  0.00    +0.015 C 
ATOM     18  C   LIG    1        7.275  -0.807   0.172  0.00  0.00    -0.013 C 
ATOM     19  C   LIG    1        8.345   0.278  -0.087  0.00  0.00    +0.015 C 
ATOM     20  C   LIG    1        7.544  -1.959  -0.821  0.00  0.00    +0.015 C 
ENDBRANCH  11  18
ENDBRANCH   7  14
ENDBRANCH   1   9
BRANCH   3  21
ATOM     21  C   LIG    1       -4.047   0.726  -2.114  0.00  0.00    +0.092 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -5.337   0.725  -1.297  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1       -5.509  -0.258  -0.180  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1       -4.452  -1.282   0.124  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1       -4.941  -2.402   1.048  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -5.755  -1.840   2.206  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -6.970  -1.063   1.696  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1       -6.652  -0.176   0.523  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1       -7.681   0.830   0.160  0.00  0.00    +0.268 A 
ATOM     30  O   LIG    1       -8.741   0.922   0.770  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -7.376   1.643  -0.898  0.00  0.00    -0.243 N 
ATOM     32  H   LIG    1       -8.067   2.337  -1.163  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1       -6.228   1.614  -1.624  0.00  0.00    -0.175 NA
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 5