REMARK  Name = BDB028147
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.819  -0.664  -0.542  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1        1.993   0.113  -0.567  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        3.259  -0.483  -0.475  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        3.357  -1.864  -0.338  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        4.686  -2.482  -0.207  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1        5.756  -1.623  -0.220  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1        6.681  -2.031  -0.128  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1        5.699  -0.272  -0.371  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1        4.817  -3.696  -0.091  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1        2.206  -2.656  -0.311  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        4.530   0.285  -0.505  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1        0.948  -2.058  -0.415  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1       -2.779   0.296   0.182  0.00  0.00    +0.139 A 
ATOM     14  C   LIG    1       -1.525  -0.311   0.287  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1       -0.508  -0.037  -0.638  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -0.828   0.864  -1.654  0.00  0.00    +0.119 A 
ATOM     17  N   LIG    1       -2.029   1.473  -1.797  0.00  0.00    -0.259 NA
ATOM     18  C   LIG    1       -2.975   1.171  -0.875  0.00  0.00    +0.156 A 
BRANCH  13  19
ATOM     19  O   LIG    1       -3.676  -0.061   1.145  0.00  0.00    -0.488 OA
BRANCH  19  21
ATOM     20  C   LIG    1       -5.405   0.562   2.649  0.00  0.00    +0.051 C 
ATOM     21  C   LIG    1       -4.943   0.605   1.194  0.00  0.00    +0.167 C 
ATOM     22  C   LIG    1       -5.947  -0.124   0.306  0.00  0.00    +0.051 C 
ENDBRANCH  19  21
ENDBRANCH  13  19
ENDBRANCH   1  15
BRANCH  11  23
ATOM     23  C   LIG    1        4.500   1.800  -0.694  0.00  0.00    +0.136 C 
BRANCH  23  24
ATOM     24  N   LIG    1        4.133   2.436   0.572  0.00  0.00    -0.325 NA
ATOM     25  H   LIG    1        4.223   3.447   0.471  0.00  0.00    +0.119 HD
ATOM     26  H   LIG    1        4.827   2.172   1.275  0.00  0.00    +0.119 HD
ENDBRANCH  23  24
ENDBRANCH  11  23
TORSDOF 5