REMARK  Name = BDB056960
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.717   0.650   0.440  0.00  0.00    +0.281 C 
ATOM      2  N   LIG    1        1.826  -0.150   0.113  0.00  0.00    -0.176 N 
ATOM      3  C   LIG    1        3.179   0.114   0.267  0.00  0.00    +0.098 A 
ATOM      4  C   LIG    1        3.793  -1.016  -0.259  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1        5.192  -1.108  -0.268  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        5.938  -0.046   0.260  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        5.303   1.081   0.783  0.00  0.00    +0.002 A 
ATOM      8  N   LIG    1        2.847  -1.892  -0.705  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        3.907   1.187   0.799  0.00  0.00    +0.030 A 
ATOM     10  N   LIG    1        1.655  -1.357  -0.487  0.00  0.00    -0.057 NA
ATOM     11  O   LIG    1        0.941   1.791   0.849  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  14
ATOM     12  C   LIG    1       -2.996   0.888  -0.158  0.00  0.00    +0.124 A 
ATOM     13  C   LIG    1       -1.646   1.219  -0.049  0.00  0.00    +0.059 A 
ATOM     14  C   LIG    1       -0.708   0.239   0.310  0.00  0.00    +0.048 A 
ATOM     15  C   LIG    1       -1.135  -1.063   0.588  0.00  0.00    +0.059 A 
ATOM     16  C   LIG    1       -2.486  -1.400   0.479  0.00  0.00    +0.124 A 
ATOM     17  C   LIG    1       -3.408  -0.424   0.102  0.00  0.00    +0.091 A 
BRANCH  12  19
ATOM     18  C   LIG    1       -3.651   3.100  -0.745  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -4.006   1.743  -0.505  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
BRANCH  16  20
ATOM     20  O   LIG    1       -2.772  -2.704   0.776  0.00  0.00    -0.495 OA
ATOM     21  C   LIG    1       -4.128  -3.114   0.641  0.00  0.00    +0.277 C 
ENDBRANCH  16  20
ENDBRANCH   1  14
TORSDOF 3