REMARK  Name = BDB050025
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.910  -2.065  -0.598  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        2.357  -2.489  -0.858  0.00  0.00    +0.075 C 
BRANCH   2  11
ATOM      3  O   LIG    1        6.842  -1.039  -1.014  0.00  0.00    -0.268 OA
ATOM      4  C   LIG    1        5.721  -0.894  -0.544  0.00  0.00    +0.255 A 
ATOM      5  C   LIG    1        5.398   0.135   0.435  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        6.304   1.149   1.017  0.00  0.00    +0.043 C 
ATOM      7  C   LIG    1        5.462   1.680   2.186  0.00  0.00    +0.011 C 
ATOM      8  C   LIG    1        4.001   1.317   1.881  0.00  0.00    +0.056 C 
ATOM      9  C   LIG    1        4.148   0.209   0.892  0.00  0.00    +0.052 A 
ATOM     10  N   LIG    1        3.112  -0.598   0.526  0.00  0.00    -0.238 NA
ATOM     11  C   LIG    1        3.394  -1.504  -0.359  0.00  0.00    +0.110 A 
ATOM     12  N   LIG    1        4.653  -1.680  -0.889  0.00  0.00    -0.311 N 
ATOM     13  H   LIG    1        4.841  -2.403  -1.567  0.00  0.00    +0.170 HD
ENDBRANCH   2  11
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  C   LIG    1        0.490  -0.888  -1.494  0.00  0.00    +0.085 C 
BRANCH  14  15
ATOM     15  N   LIG    1       -0.861  -0.356  -1.289  0.00  0.00    -0.298 NA
ATOM     16  C   LIG    1       -1.924  -1.357  -1.405  0.00  0.00    +0.089 C 
ATOM     17  C   LIG    1       -3.300  -0.669  -1.471  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -3.470   0.381  -0.399  0.00  0.00    -0.042 C 
ATOM     19  C   LIG    1       -2.389   0.861   0.246  0.00  0.00    -0.008 C 
ATOM     20  C   LIG    1       -0.982   0.409  -0.042  0.00  0.00    +0.112 C 
BRANCH  18  21
ATOM     21  C   LIG    1       -4.835   0.860  -0.095  0.00  0.00    -0.022 A 
ATOM     22  C   LIG    1       -5.743   1.135  -1.127  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1       -7.041   1.571  -0.843  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -7.449   1.734   0.478  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.562   1.459   1.516  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -5.265   1.024   1.231  0.00  0.00    +0.008 A 
ENDBRANCH  18  21
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 5