REMARK  Name = BDB004577
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.021   1.087   0.878  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        2.962   0.155   0.880  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1        1.694   0.609   0.466  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        0.651  -0.341   0.462  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1        0.838  -1.606   0.862  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        2.068  -1.939   1.245  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1        1.510   1.963   0.088  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        2.565   2.865   0.097  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        3.133  -1.130   1.264  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        3.819   2.426   0.487  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        5.689  -0.537   1.673  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        6.626  -0.775   1.964  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        4.954  -1.237   1.705  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        5.420   0.742   1.285  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1        6.317   1.579   1.274  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1       -0.638   0.050   0.040  0.00  0.00    -0.319 N 
ATOM     17  H   LIG    1       -0.550   0.429  -0.901  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  CA  LIG    1       -1.685  -0.986   0.066  0.00  0.00    +0.127 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.818  -0.521  -0.852  0.00  0.00    -0.025 A 
ATOM     20  C   LIG    1       -3.260  -1.349  -1.897  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -4.299  -0.941  -2.735  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -4.908   0.298  -2.542  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.479   1.131  -1.512  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.441   0.726  -0.672  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
BRANCH  18  25
ATOM     25  C   LIG    1       -2.224  -1.229   1.500  0.00  0.00    +0.182 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -3.188  -2.287   1.544  0.00  0.00    -0.393 OA
ATOM     27  H   LIG    1       -3.956  -1.993   1.021  0.00  0.00    +0.209 HD
ENDBRANCH  25  26
ENDBRANCH  18  25
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 6