REMARK  Name = BDB027966
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.089   0.797   0.631  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1       -1.742   0.644   0.238  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -0.658   0.712   1.134  0.00  0.00    +0.032 A 
ATOM      4  C   LIG    1       -0.979   0.943   2.478  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -2.301   1.106   2.900  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -3.346   1.035   1.982  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        0.653   0.547   0.706  0.00  0.00    -0.327 N 
ATOM      8  C   LIG    1        1.742   0.255   1.651  0.00  0.00    +0.124 C 
ATOM      9  C   LIG    1        2.932  -0.429   0.953  0.00  0.00    +0.130 C 
ATOM     10  N   LIG    1        3.420   0.309  -0.212  0.00  0.00    -0.264 N 
ATOM     11  C   LIG    1        4.662   0.100  -0.770  0.00  0.00    +0.403 C 
ATOM     12  O   LIG    1        5.081   0.717  -1.741  0.00  0.00    -0.226 OA
ATOM     13  C   LIG    1        2.499   1.266  -0.818  0.00  0.00    +0.130 C 
ATOM     14  C   LIG    1        1.027   0.835  -0.692  0.00  0.00    +0.124 C 
BRANCH  11  15
ATOM     15  O   LIG    1        5.352  -0.871  -0.118  0.00  0.00    -0.445 OA
BRANCH  15  16
ATOM     16  C   LIG    1        6.684  -1.258  -0.542  0.00  0.00    +0.107 C 
ATOM     17  C   LIG    1        7.098  -2.364   0.442  0.00  0.00    +0.055 C 
ATOM     18  C   LIG    1        7.672  -0.094  -0.412  0.00  0.00    +0.055 C 
ATOM     19  C   LIG    1        6.670  -1.845  -1.958  0.00  0.00    +0.055 C 
ENDBRANCH  15  16
ENDBRANCH  11  15
ENDBRANCH   3   7
BRANCH   1  21
ATOM     20  C   LIG    1       -4.107   1.891  -1.223  0.00  0.00    +0.130 C 
ATOM     21  N   LIG    1       -4.096   0.713  -0.347  0.00  0.00    -0.321 N 
BRANCH  21  22
ATOM     22  C   LIG    1       -5.396   0.118   0.041  0.00  0.00    +0.160 C 
ATOM     23  C   LIG    1       -6.507   1.142   0.353  0.00  0.00    +0.240 C 
ATOM     24  O   LIG    1       -6.318   2.249   0.854  0.00  0.00    -0.273 OA
ATOM     25  N   LIG    1       -7.798   0.734   0.095  0.00  0.00    -0.255 N 
ATOM     26  H   LIG    1       -8.522   1.400   0.324  0.00  0.00    +0.158 HD
ATOM     27  C   LIG    1       -8.225  -0.472  -0.401  0.00  0.00    +0.219 C 
ATOM     28  O   LIG    1       -9.421  -0.717  -0.524  0.00  0.00    -0.275 OA
ATOM     29  C   LIG    1       -7.156  -1.488  -0.714  0.00  0.00    +0.098 C 
ATOM     30  C   LIG    1       -5.852  -0.809  -1.094  0.00  0.00    +0.041 C 
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 5