REMARK  Name = BDB003813
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.495  -0.257  -0.316  0.00  0.00    -0.315 N 
ATOM      2  C   LIG    1       -2.205  -1.475   0.078  0.00  0.00    +0.107 C 
ATOM      3  C   LIG    1       -3.679  -1.128   0.329  0.00  0.00    +0.037 C 
ATOM      4  C   LIG    1       -4.277  -0.101  -0.682  0.00  0.00    +0.073 C 
ATOM      5  C   LIG    1       -5.660  -0.601  -1.115  0.00  0.00    +0.228 C 
ATOM      6  O   LIG    1       -5.874  -1.026  -2.253  0.00  0.00    -0.275 OA
ATOM      7  N   LIG    1       -6.680  -0.698  -0.195  0.00  0.00    -0.254 N 
ATOM      8  H   LIG    1       -7.410  -1.330  -0.495  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1       -6.761  -0.343   1.134  0.00  0.00    +0.245 C 
ATOM     10  O   LIG    1       -7.458  -0.998   1.908  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1       -5.965   0.871   1.590  0.00  0.00    +0.255 C 
ATOM     12  O   LIG    1       -5.558   1.704   0.523  0.00  0.00    -0.370 OA
ATOM     13  C   LIG    1       -4.335   1.327  -0.093  0.00  0.00    +0.176 C 
ATOM     14  C   LIG    1       -3.354  -0.074  -1.934  0.00  0.00    +0.037 C 
ATOM     15  C   LIG    1       -1.910   0.312  -1.606  0.00  0.00    +0.107 C 
ENDROOT
BRANCH   1  19
ATOM     16  C   LIG    1        2.668  -0.508   0.111  0.00  0.00    +0.077 A 
ATOM     17  C   LIG    1        1.823  -1.595   0.261  0.00  0.00    +0.127 A 
ATOM     18  N   LIG    1        0.472  -1.534   0.126  0.00  0.00    -0.240 NA
ATOM     19  C   LIG    1       -0.096  -0.347  -0.181  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        0.695   0.795  -0.336  0.00  0.00    +0.044 A 
ATOM     21  C   LIG    1        2.083   0.718  -0.193  0.00  0.00    +0.020 A 
BRANCH  16  22
ATOM     22  C   LIG    1        4.122  -0.711   0.286  0.00  0.00    +0.341 C 
ATOM     23  O   LIG    1        4.614  -1.793   0.556  0.00  0.00    -0.245 OA
BRANCH  22  24
ATOM     24  O   LIG    1        4.778   0.458   0.102  0.00  0.00    -0.455 OA
BRANCH  24  26
ATOM     25  C   LIG    1        6.908  -0.347  -0.837  0.00  0.00    +0.055 C 
ATOM     26  C   LIG    1        6.223   0.524   0.222  0.00  0.00    +0.106 C 
ATOM     27  C   LIG    1        6.681   0.169   1.640  0.00  0.00    +0.055 C 
ATOM     28  C   LIG    1        6.570   1.995  -0.053  0.00  0.00    +0.055 C 
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH  16  22
ENDBRANCH   1  19
TORSDOF 4