REMARK  Name = BDB058684
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.624   3.232   1.757  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        2.120   1.969   1.130  0.00  0.00    +0.069 C 
ATOM      3  C   LIG    1        1.259   0.832   0.755  0.00  0.00    +0.065 C 
ATOM      4  C   LIG    1       -0.067   0.830   0.932  0.00  0.00    +0.061 C 
ATOM      5  C   LIG    1        2.199  -0.157   0.169  0.00  0.00    +0.272 C 
ATOM      6  O   LIG    1        1.911  -1.242  -0.301  0.00  0.00    -0.268 OA
ATOM      7  N   LIG    1        3.444   0.487   0.287  0.00  0.00    -0.156 N 
ATOM      8  N   LIG    1        3.377   1.756   0.857  0.00  0.00    -0.177 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        4.715   0.001  -0.114  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1        4.878  -1.263  -0.698  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        6.143  -1.721  -1.087  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        7.266  -0.913  -0.908  0.00  0.00    +0.059 A 
ATOM     13  C   LIG    1        7.131   0.342  -0.309  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1        5.864   0.791   0.078  0.00  0.00    +0.026 A 
BRANCH  12  15
ATOM     15  C   LIG    1        8.588  -1.427  -1.332  0.00  0.00    +0.337 C 
ATOM     16  O   LIG    1        8.938  -2.582  -1.171  0.00  0.00    -0.245 OA
BRANCH  15  17
ATOM     17  O   LIG    1        9.339  -0.494  -1.954  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1        8.864   0.332  -2.166  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  12  15
ENDBRANCH   7   9
BRANCH   4  19
ATOM     19  C   LIG    1       -0.960  -0.226   0.611  0.00  0.00    +0.129 A 
ATOM     20  O   LIG    1       -2.245   0.050   0.198  0.00  0.00    -0.455 OA
ATOM     21  C   LIG    1       -2.921  -1.117   0.042  0.00  0.00    +0.136 A 
ATOM     22  C   LIG    1       -2.084  -2.176   0.302  0.00  0.00    +0.050 A 
ATOM     23  C   LIG    1       -0.844  -1.608   0.686  0.00  0.00    +0.050 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -4.297  -0.999  -0.401  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1       -5.230  -0.150   0.186  0.00  0.00    +0.031 A 
ATOM     26  C   LIG    1       -5.125   0.731   1.357  0.00  0.00    +0.164 C 
ATOM     27  C   LIG    1       -6.402   1.518   1.512  0.00  0.00    +0.084 C 
ATOM     28  C   LIG    1       -7.374   0.919   0.494  0.00  0.00    +0.044 C 
ATOM     29  O   LIG    1       -4.171   0.824   2.109  0.00  0.00    -0.292 OA
ATOM     30  C   LIG    1       -6.538  -0.037  -0.295  0.00  0.00    -0.036 A 
ATOM     31  C   LIG    1       -6.960  -0.792  -1.379  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -6.051  -1.663  -1.978  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -4.736  -1.767  -1.494  0.00  0.00    +0.012 A 
ENDBRANCH  21  24
ENDBRANCH   4  19
TORSDOF 5