REMARK  Name = BDB014469
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.448   0.987  -0.287  0.00  0.00    +0.136 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -2.588  -0.285   0.024  0.00  0.00    +0.234 C 
ATOM      3  N   LIG    1       -1.334   0.098   0.452  0.00  0.00    -0.311 N 
ATOM      4  H   LIG    1       -1.153  -0.084   1.438  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1       -2.998  -0.035  -1.107  0.00  0.00    -0.274 OA
BRANCH   2   6
ATOM      6  C   LIG    1       -3.378  -1.103   1.085  0.00  0.00    +0.168 C 
BRANCH   6   7
ATOM      7  C   LIG    1       -4.876  -0.868   1.069  0.00  0.00    -0.022 A 
ATOM      8  C   LIG    1       -5.420   0.424   0.973  0.00  0.00    +0.005 A 
ATOM      9  C   LIG    1       -6.803   0.618   1.002  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -7.659  -0.472   1.139  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -7.135  -1.758   1.248  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -5.753  -1.955   1.217  0.00  0.00    +0.005 A 
ENDBRANCH   6   7
BRANCH   6  13
ATOM     13  N   LIG    1       -2.837  -0.827   2.446  0.00  0.00    -0.316 NA
ATOM     14  H   LIG    1       -3.327  -1.447   3.094  0.00  0.00    +0.119 HD
ATOM     15  H   LIG    1       -3.145   0.111   2.710  0.00  0.00    +0.119 HD
ENDBRANCH   6  13
ENDBRANCH   2   6
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  C   LIG    1        0.085   0.370  -1.597  0.00  0.00    +0.145 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -0.886   0.496  -2.647  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1       -1.759   0.259  -2.260  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1        1.370   1.078  -2.083  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1        2.515   1.028  -1.153  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1        3.022  -0.352  -1.000  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1        4.316  -0.448  -0.217  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        5.149   0.672  -0.057  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1        6.354   0.550   0.649  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        6.742  -0.683   1.171  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.929  -1.800   0.996  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        4.715   2.013  -0.590  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1        4.724  -1.685   0.304  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        3.603   1.894  -1.640  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 8