REMARK  Name = BDB023594
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -6.398   1.756  -0.407  0.00  0.00    -0.268 N 
ATOM      2  C   LIG    1       -5.563   0.936  -1.340  0.00  0.00    +0.132 C 
ATOM      3  C   LIG    1       -4.500   0.238  -0.477  0.00  0.00    +0.069 C 
ATOM      4  C   LIG    1       -4.888  -1.211  -0.176  0.00  0.00    +0.225 C 
ATOM      5  O   LIG    1       -6.040  -1.633  -0.237  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -3.889  -2.024   0.297  0.00  0.00    -0.285 N 
ATOM      7  H   LIG    1       -4.183  -2.935   0.628  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1       -2.531  -1.700   0.264  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -2.114  -0.555  -0.416  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1       -0.748  -0.246  -0.469  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        0.206  -1.063   0.162  0.00  0.00    -0.018 A 
ATOM     12  C   LIG    1       -0.245  -2.212   0.833  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -1.605  -2.535   0.879  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -3.129   0.265  -1.166  0.00  0.00    +0.054 C 
ATOM     15  C   LIG    1       -4.510   1.052   0.827  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1       -5.966   1.464   0.979  0.00  0.00    +0.117 C 
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1        1.639  -0.731   0.110  0.00  0.00    -0.018 A 
ATOM     18  C   LIG    1        2.583  -1.659  -0.354  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1        3.946  -1.341  -0.405  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        4.413  -0.085   0.009  0.00  0.00    -0.018 A 
ATOM     21  C   LIG    1        3.469   0.843   0.474  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        2.106   0.526   0.522  0.00  0.00    +0.009 A 
BRANCH  20  23
ATOM     23  C   LIG    1        5.846   0.249  -0.043  0.00  0.00    -0.018 A 
ATOM     24  C   LIG    1        6.521   0.723   1.093  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        7.881   1.040   1.045  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        8.590   0.888  -0.144  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.941   0.420  -1.283  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        6.580   0.102  -1.232  0.00  0.00    +0.008 A 
ENDBRANCH  20  23
ENDBRANCH  11  17
BRANCH   1  30
ATOM     29  N   LIG    1       -8.663   2.627  -0.993  0.00  0.00    -0.174 NA
ATOM     30  C   LIG    1       -7.615   2.219  -0.721  0.00  0.00    +0.169 C 
ENDBRANCH   1  30
TORSDOF 3