REMARK  Name = BDB028233
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.256  -0.049  -0.748  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1       -1.892  -0.536   0.411  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -2.908   0.197   1.042  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -3.303   1.419   0.509  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -4.389   2.170   1.158  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -4.952   1.585   2.265  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -5.705   2.087   2.725  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -4.580   0.401   2.822  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -4.762   3.255   0.724  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -2.685   1.924  -0.638  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -3.609  -0.266   2.267  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -1.667   1.194  -1.258  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1        2.042  -1.018  -2.328  0.00  0.00    +0.147 A 
ATOM     14  C   LIG    1        1.049  -0.249  -1.718  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1       -0.193  -0.821  -1.407  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -0.364  -2.164  -1.759  0.00  0.00    +0.119 A 
ATOM     17  N   LIG    1        0.572  -2.930  -2.371  0.00  0.00    -0.259 NA
ATOM     18  C   LIG    1        1.751  -2.333  -2.651  0.00  0.00    +0.157 A 
BRANCH  13  19
ATOM     19  O   LIG    1        3.272  -0.522  -2.681  0.00  0.00    -0.454 OA
BRANCH  19  22
ATOM     20  C   LIG    1        4.837   0.597   0.473  0.00  0.00    +0.055 A 
ATOM     21  C   LIG    1        4.118  -0.200  -0.423  0.00  0.00    +0.065 A 
ATOM     22  C   LIG    1        3.943   0.228  -1.742  0.00  0.00    +0.130 A 
ATOM     23  C   LIG    1        4.516   1.423  -2.178  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        5.235   2.217  -1.285  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        5.392   1.808   0.041  0.00  0.00    +0.019 A 
BRANCH  20  27
ATOM     26  N   LIG    1        5.139  -0.169   2.933  0.00  0.00    -0.191 NA
ATOM     27  C   LIG    1        5.007   0.173   1.832  0.00  0.00    +0.099 C 
ENDBRANCH  20  27
ENDBRANCH  19  22
ENDBRANCH  13  19
ENDBRANCH   1  15
BRANCH  11  28
ATOM     28  C   LIG    1       -3.203  -1.582   2.925  0.00  0.00    +0.136 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -3.741  -2.697   2.143  0.00  0.00    -0.325 NA
ATOM     30  H   LIG    1       -4.760  -2.611   2.126  0.00  0.00    +0.119 HD
ATOM     31  H   LIG    1       -3.555  -3.567   2.643  0.00  0.00    +0.119 HD
ENDBRANCH  28  29
ENDBRANCH  11  28
TORSDOF 6