REMARK  Name = BDB060664
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.138   0.986   0.124  0.00  0.00    +0.171 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.102   0.286   0.624  0.00  0.00    +0.059 A 
ATOM      3  N   LIG    1        2.029   0.956   1.395  0.00  0.00    -0.355 N 
ATOM      4  H   LIG    1        1.929   1.920   1.684  0.00  0.00    +0.166 HD
ATOM      5  C   LIG    1        3.080   0.135   1.725  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1        2.836  -1.100   1.129  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1        3.774  -2.135   1.304  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        4.920  -1.898   2.072  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        5.137  -0.652   2.658  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        4.220   0.391   2.495  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        1.601  -0.992   0.433  0.00  0.00    +0.034 A 
ENDBRANCH   1   2
BRANCH   1  12
ATOM     12  C   LIG    1       -1.341   0.081  -0.034  0.00  0.00    +0.059 A 
ATOM     13  N   LIG    1       -2.342   0.345  -0.948  0.00  0.00    -0.355 N 
ATOM     14  H   LIG    1       -2.351   1.131  -1.586  0.00  0.00    +0.166 HD
ATOM     15  C   LIG    1       -3.328  -0.611  -0.888  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1       -2.971  -1.506   0.117  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -3.824  -2.591   0.394  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1       -5.003  -2.741  -0.346  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -5.335  -1.830  -1.346  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -4.503  -0.744  -1.637  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -1.735  -1.057   0.653  0.00  0.00    +0.034 A 
ENDBRANCH   1  12
BRANCH   1  22
ATOM     22  C   LIG    1        0.164   1.806  -1.132  0.00  0.00    -0.002 A 
ATOM     23  C   LIG    1       -0.069   3.188  -1.190  0.00  0.00    +0.027 A 
ATOM     24  C   LIG    1        0.198   3.869  -2.367  0.00  0.00    +0.111 A 
ATOM     25  N   LIG    1        0.669   3.280  -3.485  0.00  0.00    -0.263 NA
ATOM     26  C   LIG    1        0.897   1.953  -3.420  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1        0.661   1.186  -2.290  0.00  0.00    +0.027 A 
ENDBRANCH   1  22
BRANCH   1  28
ATOM     28  O   LIG    1       -0.507   1.868   1.189  0.00  0.00    -0.372 OA
ATOM     29  H   LIG    1       -0.864   1.292   1.888  0.00  0.00    +0.212 HD
ENDBRANCH   1  28
TORSDOF 4