REMARK  Name = BDB028485
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.243   1.752   0.573  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1        1.154   0.564   0.276  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1        2.227  -0.311   0.289  0.00  0.00    -0.285 N 
ATOM      4  C   LIG    1        3.531   0.173   0.738  0.00  0.00    +0.117 C 
ATOM      5  C   LIG    1        4.599   0.010  -0.362  0.00  0.00    +0.036 C 
ATOM      6  C   LIG    1        4.534  -1.377  -1.045  0.00  0.00    +0.011 C 
ATOM      7  C   LIG    1        3.554  -2.325  -0.355  0.00  0.00    +0.020 C 
ATOM      8  C   LIG    1        2.176  -1.679  -0.227  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1       -0.036   0.007  -0.118  0.00  0.00    -0.297 N 
ATOM     10  H   LIG    1       -0.173  -0.958   0.147  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        5.982   0.330   0.181  0.00  0.00    -0.043 A 
ATOM     12  C   LIG    1        6.627  -0.517   1.097  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        7.893  -0.198   1.592  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        8.528   0.972   1.183  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        7.899   1.824   0.279  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        6.633   1.507  -0.218  0.00  0.00    +0.004 A 
ENDBRANCH   5  11
BRANCH   9  17
ATOM     17  C   LIG    1       -1.246   0.810  -0.117  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.448  -0.008  -0.615  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -2.592  -1.150   0.253  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1       -2.797  -0.813   1.142  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1       -3.733   0.857  -0.616  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -4.826   0.349  -1.473  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -5.972   1.297  -1.484  0.00  0.00    +0.127 C 
ATOM     24  C   LIG    1       -6.853   1.135  -0.277  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1       -6.890   0.011   0.526  0.00  0.00    -0.035 A 
ATOM     26  C   LIG    1       -7.843   0.145   1.576  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1       -8.492   1.360   1.528  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1       -5.977  -1.148   0.258  0.00  0.00    +0.051 C 
ATOM     29  S   LIG    1       -7.953   2.332   0.224  0.00  0.00    -0.100 S 
ATOM     30  C   LIG    1       -5.301  -1.013  -1.128  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   9  17
TORSDOF 6