REMARK  Name = BDB039244
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.228  -0.792   1.171  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        4.421  -0.142   0.249  0.00  0.00    -0.260 N 
ATOM      3  C   LIG    1        4.955   0.459  -0.977  0.00  0.00    +0.081 C 
ATOM      4  C   LIG    1        5.065  -0.575  -2.103  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.131   1.689  -1.387  0.00  0.00    +0.058 C 
ATOM      6  C   LIG    1        2.647   1.425  -1.396  0.00  0.00    -0.039 A 
ATOM      7  C   LIG    1        1.805   2.225  -2.181  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        0.420   2.035  -2.196  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1       -0.092   1.016  -1.387  0.00  0.00    +0.069 A 
ATOM     10  N   LIG    1       -1.370   0.551  -1.148  0.00  0.00    -0.323 N 
ATOM     11  C   LIG    1       -1.286  -0.488  -0.241  0.00  0.00    +0.114 A 
ATOM     12  N   LIG    1       -0.029  -0.699   0.101  0.00  0.00    -0.232 NA
ATOM     13  C   LIG    1        0.720   0.219  -0.589  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        2.117   0.411  -0.567  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        2.995  -0.454   0.297  0.00  0.00    +0.149 C 
ATOM     16  O   LIG    1        4.802  -1.474   2.096  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -2.459  -1.259   0.300  0.00  0.00    +0.055 C 
ATOM     18  C   LIG    1       -2.207  -2.771   0.219  0.00  0.00    +0.011 C 
ATOM     19  C   LIG    1       -3.432  -3.574   0.666  0.00  0.00    +0.001 C 
ATOM     20  C   LIG    1       -4.281  -2.859   1.718  0.00  0.00    +0.000 C 
ATOM     21  C   LIG    1       -3.445  -1.923   2.579  0.00  0.00    +0.001 C 
ATOM     22  C   LIG    1       -2.768  -0.830   1.748  0.00  0.00    +0.011 C 
ENDBRANCH  11  17
BRANCH   1  24
ATOM     23  C   LIG    1        7.416  -1.246   1.871  0.00  0.00    +0.282 C 
ATOM     24  O   LIG    1        6.555  -0.593   0.939  0.00  0.00    -0.454 OA
ENDBRANCH   1  24
BRANCH  10  25
ATOM     25  C   LIG    1       -2.578   1.047  -1.794  0.00  0.00    +0.158 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.457   1.855  -0.868  0.00  0.00    -0.028 A 
ATOM     27  C   LIG    1       -4.837   1.599  -0.819  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -5.669   2.347   0.016  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.136   3.366   0.802  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.772   3.641   0.751  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -2.937   2.896  -0.084  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH  10  25
TORSDOF 4