REMARK  Name = BDB024546
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.976  -0.385   2.414  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        3.865   0.442   2.202  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        3.982   1.817   2.705  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        4.460   2.771   1.608  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        2.685   2.260   3.375  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        1.526   2.201   2.402  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        1.513   0.924   1.606  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.339   0.558   0.908  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.867   1.205   0.861  0.00  0.00    -0.230 NA
ATOM     10  C   LIG    1       -1.657   0.493   0.075  0.00  0.00    +0.131 A 
ATOM     11  N   LIG    1       -0.994  -0.641  -0.366  0.00  0.00    -0.323 N 
ATOM     12  C   LIG    1        0.300  -0.588   0.131  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.419  -1.405  -0.021  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.588  -1.033   0.658  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.656   0.090   1.497  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.078   0.039   2.759  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.510  -1.755  -1.161  0.00  0.00    +0.091 C 
ATOM     18  C   LIG    1       -2.584  -2.577  -0.429  0.00  0.00    +0.056 C 
ATOM     19  C   LIG    1       -2.932  -3.851  -1.208  0.00  0.00    +0.117 C 
ATOM     20  C   LIG    1       -2.875  -3.683  -2.731  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1       -3.037  -2.229  -3.155  0.00  0.00    +0.004 C 
ATOM     22  C   LIG    1       -1.901  -1.368  -2.598  0.00  0.00    +0.025 C 
BRANCH  19  23
ATOM     23  O   LIG    1       -2.022  -4.888  -0.848  0.00  0.00    -0.392 OA
ATOM     24  H   LIG    1       -2.157  -5.098   0.094  0.00  0.00    +0.210 HD
ENDBRANCH  19  23
ENDBRANCH  11  17
BRANCH   1  26
ATOM     25  C   LIG    1        5.835  -2.566   2.568  0.00  0.00    +0.282 C 
ATOM     26  O   LIG    1        4.720  -1.719   2.290  0.00  0.00    -0.453 OA
ENDBRANCH   1  26
BRANCH  10  27
ATOM     27  C   LIG    1       -3.081   0.874  -0.223  0.00  0.00    +0.199 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -3.179   1.996  -1.162  0.00  0.00    -0.308 N 
ATOM     29  C   LIG    1       -3.964   1.837  -2.304  0.00  0.00    +0.252 A 
ATOM     30  O   LIG    1       -4.562   0.807  -2.607  0.00  0.00    -0.268 OA
ATOM     31  C   LIG    1       -4.066   3.018  -3.204  0.00  0.00    +0.070 A 
ATOM     32  C   LIG    1       -3.473   4.171  -2.874  0.00  0.00    +0.007 A 
ATOM     33  C   LIG    1       -2.732   4.281  -1.647  0.00  0.00    +0.018 A 
ATOM     34  C   LIG    1       -2.607   3.221  -0.840  0.00  0.00    +0.089 A 
ENDBRANCH  27  28
ENDBRANCH  10  27
TORSDOF 5