REMARK  Name = BDB039011
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        6.005  -1.126   0.088  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        5.114  -0.208  -0.441  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        3.692  -0.482  -0.267  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.778   0.384  -1.096  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        3.274   1.429  -1.911  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        2.404   2.211  -2.684  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        1.020   2.009  -2.658  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.540   0.987  -1.832  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1       -0.727   0.515  -1.552  0.00  0.00    -0.323 N 
ATOM     10  C   LIG    1       -0.607  -0.524  -0.651  0.00  0.00    +0.114 A 
ATOM     11  N   LIG    1        0.660  -0.729  -0.349  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        4.761   1.665  -1.996  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.382   0.190  -1.066  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        5.486   1.167  -0.748  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        5.676  -2.211   0.553  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1       -1.757  -1.309  -0.072  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1       -1.966  -0.914   1.403  0.00  0.00    +0.012 C 
ATOM     18  C   LIG    1       -2.652  -2.022   2.192  0.00  0.00    +0.015 C 
ATOM     19  C   LIG    1       -1.801  -3.298   2.228  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -0.928  -3.488   0.977  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1       -1.537  -2.825  -0.258  0.00  0.00    +0.012 C 
BRANCH  19  22
ATOM     22  C   LIG    1       -2.705  -4.496   2.414  0.00  0.00    +0.308 C 
ATOM     23  O   LIG    1       -3.522  -4.922   1.613  0.00  0.00    -0.251 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -2.542  -5.091   3.613  0.00  0.00    -0.480 OA
ATOM     25  H   LIG    1       -3.173  -5.841   3.595  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  19  22
ENDBRANCH  10  16
BRANCH   1  27
ATOM     26  C   LIG    1        8.244  -1.618   0.567  0.00  0.00    +0.282 C 
ATOM     27  O   LIG    1        7.295  -0.693   0.035  0.00  0.00    -0.454 OA
ENDBRANCH   1  27
BRANCH   9  28
ATOM     28  C   LIG    1       -1.958   1.008  -2.154  0.00  0.00    +0.158 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -2.789   1.834  -1.201  0.00  0.00    -0.025 A 
ATOM     30  C   LIG    1       -2.244   2.920  -0.505  0.00  0.00    +0.047 A 
ATOM     31  C   LIG    1       -3.043   3.680   0.349  0.00  0.00    +0.165 A 
ATOM     32  F   LIG    1       -2.480   4.712   0.997  0.00  0.00    -0.202 F 
ATOM     33  C   LIG    1       -4.397   3.391   0.533  0.00  0.00    +0.155 A 
ATOM     34  C   LIG    1       -4.949   2.318  -0.168  0.00  0.00    +0.049 A 
ATOM     35  C   LIG    1       -4.154   1.552  -1.031  0.00  0.00    +0.009 A 
BRANCH  33  36
ATOM     36  O   LIG    1       -5.070   4.210   1.397  0.00  0.00    -0.492 OA
ATOM     37  C   LIG    1       -6.445   3.934   1.620  0.00  0.00    +0.277 C 
ENDBRANCH  33  36
ENDBRANCH  28  29
ENDBRANCH   9  28
TORSDOF 7