REMARK  Name = BDB039104
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        6.076   0.203  -1.253  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        5.088  -0.630  -0.759  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        3.844  -0.005  -0.325  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.714  -0.968  -0.062  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        2.885  -2.369  -0.162  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        1.814  -3.243   0.076  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.552  -2.768   0.443  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.399  -1.382   0.552  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1       -0.676  -0.575   0.874  0.00  0.00    -0.327 N 
ATOM     10  C   LIG    1       -0.242   0.736   0.865  0.00  0.00    +0.114 A 
ATOM     11  N   LIG    1        1.028   0.796   0.513  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        4.222  -2.926  -0.585  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.441  -0.495   0.316  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        5.364  -1.969  -0.254  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        5.915   1.396  -1.483  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1       -1.072   1.938   1.224  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1       -0.940   3.033   0.152  0.00  0.00    +0.011 C 
ATOM     18  C   LIG    1       -1.738   4.280   0.528  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1       -1.341   4.806   1.904  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1       -1.456   3.726   2.975  0.00  0.00    +0.001 C 
ATOM     21  C   LIG    1       -0.663   2.475   2.604  0.00  0.00    +0.011 C 
ENDBRANCH  10  16
BRANCH   1  23
ATOM     22  C   LIG    1        8.296   0.382  -1.977  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1        7.255  -0.447  -1.460  0.00  0.00    -0.454 OA
ENDBRANCH   1  23
BRANCH   9  24
ATOM     24  C   LIG    1       -2.001  -1.076   1.208  0.00  0.00    +0.128 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.807  -1.560  -0.017  0.00  0.00    +0.022 C 
ATOM     26  C   LIG    1       -3.237  -0.443  -1.000  0.00  0.00    +0.102 C 
ATOM     27  C   LIG    1       -4.020  -1.036  -2.182  0.00  0.00    +0.015 C 
ATOM     28  C   LIG    1       -5.199  -1.895  -1.728  0.00  0.00    +0.001 C 
ATOM     29  C   LIG    1       -4.756  -3.001  -0.778  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1       -3.981  -2.455   0.419  0.00  0.00    +0.006 C 
BRANCH  26  31
ATOM     31  C   LIG    1       -4.032   0.723  -0.440  0.00  0.00    +0.308 C 
ATOM     32  O   LIG    1       -4.197   1.795  -1.000  0.00  0.00    -0.251 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -4.614   0.504   0.748  0.00  0.00    -0.480 OA
ATOM     34  H   LIG    1       -5.119   1.330   0.913  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  26  31
ENDBRANCH  24  25
ENDBRANCH   9  24
TORSDOF 6