REMARK  Name = BDB024515
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.878  -3.103  -0.251  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.298  -2.020  -0.936  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.105  -1.239  -1.907  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.411  -2.063  -3.171  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.467   0.081  -2.368  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        3.767   0.768  -1.219  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.699  -0.162  -0.723  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.423   0.308  -0.345  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.937   1.589  -0.378  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -0.293   1.529   0.087  0.00  0.00    +0.111 A 
ATOM     11  N   LIG    1       -0.640   0.225   0.399  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.462  -0.570   0.142  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        0.722  -1.936   0.278  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        1.995  -2.394  -0.091  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.990  -1.537  -0.581  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        4.337  -3.797   0.603  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.935  -0.218   0.912  0.00  0.00    +0.089 C 
ATOM     18  C   LIG    1       -1.845  -0.756   2.349  0.00  0.00    +0.026 C 
ATOM     19  C   LIG    1       -3.212  -1.186   2.879  0.00  0.00    +0.017 C 
ATOM     20  C   LIG    1       -3.895  -2.188   1.943  0.00  0.00    +0.098 C 
ATOM     21  C   LIG    1       -4.011  -1.616   0.523  0.00  0.00    +0.017 C 
ATOM     22  C   LIG    1       -2.649  -1.201  -0.032  0.00  0.00    +0.026 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -5.264  -2.559   2.488  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1       -6.324  -2.135   2.058  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -5.202  -3.423   3.527  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -4.299  -3.693   3.778  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1        6.833  -4.371   0.085  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        6.185  -3.300  -0.603  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  C   LIG    1       -1.179   2.723   0.242  0.00  0.00    +0.082 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -2.047   2.932  -0.998  0.00  0.00    +0.085 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -2.969   4.076  -0.819  0.00  0.00    +0.138 A 
ATOM     32  O   LIG    1       -4.068   3.852  -0.050  0.00  0.00    -0.359 OA
ATOM     33  N   LIG    1       -4.818   5.011   0.029  0.00  0.00    -0.083 NA
ATOM     34  C   LIG    1       -4.162   5.920  -0.703  0.00  0.00    +0.081 A 
ATOM     35  C   LIG    1       -4.698   7.292  -0.840  0.00  0.00    +0.069 C 
ATOM     36  C   LIG    1       -2.983   5.376  -1.261  0.00  0.00    +0.070 A 
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 7