REMARK  Name = BDB028506
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.789  -0.692   3.257  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1        0.592   0.019   2.274  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1       -0.664   0.206   1.712  0.00  0.00    -0.286 N 
ATOM      4  C   LIG    1       -1.817  -0.242   2.488  0.00  0.00    +0.110 C 
ATOM      5  C   LIG    1       -2.942  -0.788   1.616  0.00  0.00    +0.032 C 
ATOM      6  C   LIG    1       -3.325   0.207   0.520  0.00  0.00    +0.078 C 
ATOM      7  C   LIG    1       -2.072   0.537  -0.304  0.00  0.00    +0.032 C 
ATOM      8  C   LIG    1       -0.948   1.077   0.572  0.00  0.00    +0.110 C 
ATOM      9  N   LIG    1        1.615   0.681   1.652  0.00  0.00    -0.297 N 
ATOM     10  H   LIG    1        1.391   1.600   1.301  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -4.419  -0.345  -0.392  0.00  0.00    +0.219 C 
ATOM     12  N   LIG    1       -5.724  -0.158  -0.004  0.00  0.00    -0.291 N 
ATOM     13  C   LIG    1       -6.843  -0.634  -0.809  0.00  0.00    +0.102 C 
ATOM     14  C   LIG    1       -7.185  -2.066  -0.337  0.00  0.00    +0.182 C 
ATOM     15  O   LIG    1       -7.585  -2.072   1.053  0.00  0.00    -0.376 OA
ATOM     16  C   LIG    1       -6.626  -1.390   1.889  0.00  0.00    +0.182 C 
ATOM     17  C   LIG    1       -7.950   0.349  -0.401  0.00  0.00    +0.026 C 
ATOM     18  C   LIG    1       -7.564   0.795   1.024  0.00  0.00    +0.026 C 
ATOM     19  C   LIG    1       -6.277   0.019   1.333  0.00  0.00    +0.102 C 
ATOM     20  O   LIG    1       -4.148  -0.901  -1.458  0.00  0.00    -0.275 OA
ENDBRANCH   6  11
BRANCH   9  21
ATOM     21  C   LIG    1        2.978   0.548   2.145  0.00  0.00    +0.138 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.970   1.381   1.320  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  O   LIG    1        3.508   2.745   1.274  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1        3.508   3.072   2.191  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1        4.149   0.869  -0.127  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1        4.684  -0.500  -0.239  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1        4.572  -1.008  -1.621  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1        5.615  -0.477  -2.583  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        6.844   0.022  -2.113  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1        7.806   0.472  -3.027  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        7.562   0.406  -4.398  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        6.354  -0.105  -4.867  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        7.102   0.133  -0.631  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1        5.386  -0.548  -3.965  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1        6.078  -0.644   0.209  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   9  21
TORSDOF 6