REMARK  Name = BDB039199
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.755  -0.655   1.020  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        4.303  -0.931  -0.263  0.00  0.00    -0.260 N 
ATOM      3  C   LIG    1        4.851  -0.359  -1.502  0.00  0.00    +0.081 C 
ATOM      4  C   LIG    1        6.372  -0.349  -1.647  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.226   1.026  -1.724  0.00  0.00    +0.058 C 
ATOM      6  C   LIG    1        2.712   0.968  -1.601  0.00  0.00    -0.039 A 
ATOM      7  C   LIG    1        1.947   2.030  -2.103  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        0.553   2.037  -2.007  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1       -0.054   0.937  -1.390  0.00  0.00    +0.069 A 
ATOM     10  N   LIG    1       -1.369   0.609  -1.126  0.00  0.00    -0.323 N 
ATOM     11  C   LIG    1       -1.386  -0.621  -0.495  0.00  0.00    +0.114 A 
ATOM     12  N   LIG    1       -0.157  -1.072  -0.335  0.00  0.00    -0.232 NA
ATOM     13  C   LIG    1        0.677  -0.125  -0.870  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        2.084  -0.128  -0.944  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        2.891  -1.284  -0.387  0.00  0.00    +0.149 C 
ATOM     16  O   LIG    1        4.178  -1.003   2.044  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -2.627  -1.328  -0.021  0.00  0.00    +0.055 C 
ATOM     18  C   LIG    1       -2.666  -2.785  -0.525  0.00  0.00    +0.011 C 
ATOM     19  C   LIG    1       -3.497  -3.715   0.365  0.00  0.00    +0.001 C 
ATOM     20  C   LIG    1       -4.604  -2.970   1.097  0.00  0.00    +0.000 C 
ATOM     21  C   LIG    1       -4.048  -1.873   2.006  0.00  0.00    +0.001 C 
ATOM     22  C   LIG    1       -2.729  -1.276   1.507  0.00  0.00    +0.011 C 
ENDBRANCH  11  17
BRANCH   1  24
ATOM     23  C   LIG    1        6.403   0.353   2.345  0.00  0.00    +0.282 C 
ATOM     24  O   LIG    1        5.915   0.054   1.037  0.00  0.00    -0.454 OA
ENDBRANCH   1  24
BRANCH  10  25
ATOM     25  C   LIG    1       -2.526   1.412  -1.497  0.00  0.00    +0.158 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.190   2.073  -0.312  0.00  0.00    -0.028 A 
ATOM     27  C   LIG    1       -4.581   1.976  -0.145  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -5.213   2.591   0.937  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.466   3.321   1.858  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.088   3.441   1.696  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -2.453   2.827   0.615  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH  10  25
TORSDOF 4