REMARK  Name = BDB004556
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.358  -0.347   0.155  0.00  0.00    -0.324 N 
ATOM      2  H   LIG    1       -1.331  -0.495  -0.850  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1       -5.988   1.059  -0.114  0.00  0.00    +0.063 A 
ATOM      4  C   LIG    1       -4.991   0.260   0.484  0.00  0.00    +0.088 A 
ATOM      5  C   LIG    1       -3.674   0.394   0.002  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -2.694  -0.425   0.602  0.00  0.00    +0.130 A 
ATOM      7  N   LIG    1       -2.980  -1.262   1.610  0.00  0.00    -0.220 NA
ATOM      8  C   LIG    1       -4.251  -1.312   2.002  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1       -3.383   1.324  -1.028  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -4.378   2.104  -1.599  0.00  0.00    +0.002 A 
ATOM     11  N   LIG    1       -5.264  -0.607   1.486  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1       -5.680   1.968  -1.145  0.00  0.00    +0.015 A 
BRANCH   3  16
ATOM     13  N   LIG    1       -7.798   0.163   1.290  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -8.765   0.132   1.577  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -7.111  -0.421   1.758  0.00  0.00    +0.145 HD
ATOM     16  C   LIG    1       -7.429   1.013   0.291  0.00  0.00    +0.244 C 
ATOM     17  O   LIG    1       -8.273   1.717  -0.254  0.00  0.00    -0.270 OA
ENDBRANCH   3  16
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  C   LIG    1       -0.423  -1.236   0.833  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.942  -1.074   0.201  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        1.681   0.102   0.408  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1        2.935   0.268  -0.183  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        3.466  -0.750  -0.978  0.00  0.00    +0.128 A 
ATOM     23  C   LIG    1        2.730  -1.911  -1.214  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        1.475  -2.075  -0.624  0.00  0.00    +0.009 A 
BRANCH  22  25
ATOM     25  O   LIG    1        4.678  -0.638  -1.620  0.00  0.00    -0.456 OA
BRANCH  25  26
ATOM     26  C   LIG    1        5.745  -0.178  -0.882  0.00  0.00    +0.128 A 
ATOM     27  C   LIG    1        6.556   0.789  -1.476  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1        7.673   1.274  -0.795  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        7.987   0.778   0.471  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        7.188  -0.206   1.055  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        6.070  -0.692   0.376  0.00  0.00    +0.046 A 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6