REMARK  Name = BDB025040
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.188  -1.634  -0.745  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.332  -0.664  -1.295  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.885   0.308  -2.261  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        4.809  -0.233  -3.695  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.245   1.685  -2.110  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.750   1.603  -2.316  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.145   0.503  -1.492  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.759   0.542  -1.210  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.162   1.487  -1.573  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.320   1.111  -1.061  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -1.185  -0.094  -0.392  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.155  -0.456  -0.466  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        0.883  -1.534   0.035  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.255  -1.576  -0.254  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.914  -0.587  -1.003  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        4.930  -2.409   0.168  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -2.173  -0.897   0.330  0.00  0.00    +0.090 C 
ATOM     18  C   LIG    1       -2.330  -0.448   1.791  0.00  0.00    +0.039 C 
ATOM     19  C   LIG    1       -3.228  -1.395   2.599  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1       -4.554  -1.691   1.883  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1       -4.389  -2.088   0.414  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -3.535  -1.078  -0.350  0.00  0.00    +0.025 C 
BRANCH  19  23
ATOM     23  C   LIG    1       -2.480  -2.665   2.956  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1       -2.659  -3.779   2.497  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -1.522  -2.451   3.878  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -1.123  -3.334   4.030  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1        7.333  -2.606  -0.828  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        6.421  -1.633  -1.341  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  C   LIG    1       -2.562   1.938  -1.222  0.00  0.00    +0.109 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -3.011   2.661   0.028  0.00  0.00    -0.037 A 
ATOM     31  C   LIG    1       -4.366   2.679   0.387  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -4.776   3.359   1.530  0.00  0.00    +0.124 A 
ATOM     33  F   LIG    1       -6.072   3.350   1.870  0.00  0.00    -0.205 F 
ATOM     34  C   LIG    1       -3.865   4.043   2.325  0.00  0.00    +0.038 A 
ATOM     35  C   LIG    1       -2.520   4.056   1.967  0.00  0.00    +0.003 A 
ATOM     36  C   LIG    1       -2.096   3.375   0.822  0.00  0.00    +0.004 A 
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 6