REMARK  Name = BDB054357
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.826   0.463   3.140  0.00  0.00    +0.059 C 
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1        2.893  -0.115   0.311  0.00  0.00    +0.228 A 
ATOM      3  O   LIG    1        2.421  -1.399   0.398  0.00  0.00    -0.440 OA
ATOM      4  C   LIG    1        1.583  -1.382   1.478  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1        0.915  -2.648   1.821  0.00  0.00    +0.088 C 
ATOM      6  C   LIG    1        1.576  -0.101   1.987  0.00  0.00    +0.083 A 
ATOM      7  N   LIG    1        2.420   0.692   1.242  0.00  0.00    -0.214 NA
BRANCH   2  13
ATOM      8  C   LIG    1        6.630   1.131  -3.924  0.00  0.00    +0.047 C 
ATOM      9  C   LIG    1        5.644   0.792  -2.848  0.00  0.00    -0.015 A 
ATOM     10  C   LIG    1        5.249   1.761  -1.924  0.00  0.00    +0.127 A 
ATOM     11  F   LIG    1        5.739   3.006  -2.015  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1        4.353   1.467  -0.900  0.00  0.00    +0.051 A 
ATOM     13  C   LIG    1        3.831   0.174  -0.769  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1        4.235  -0.807  -1.688  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        5.136  -0.504  -2.716  0.00  0.00    +0.007 A 
ENDBRANCH   2  13
ENDBRANCH   1   6
BRANCH   1  16
ATOM     16  C   LIG    1       -0.188   1.541   2.742  0.00  0.00    +0.006 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.300   1.079   1.789  0.00  0.00    +0.001 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.191  -0.017   2.385  0.00  0.00    +0.008 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.400  -0.426   1.522  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -2.988  -1.099   0.214  0.00  0.00    +0.169 C 
ATOM     21  O   LIG    1       -4.103  -1.103  -0.681  0.00  0.00    -0.340 OA
ATOM     22  C   LIG    1       -4.433   0.245  -1.086  0.00  0.00    +0.267 C 
ATOM     23  C   LIG    1       -5.920   0.265  -1.445  0.00  0.00    +0.087 C 
ATOM     24  O   LIG    1       -4.170   1.219  -0.080  0.00  0.00    -0.340 OA
ATOM     25  C   LIG    1       -4.371   0.721   1.236  0.00  0.00    +0.169 C 
BRANCH  22  26
ATOM     26  C   LIG    1       -3.655   0.541  -2.409  0.00  0.00    +0.365 C 
ATOM     27  O   LIG    1       -3.402   1.646  -2.867  0.00  0.00    -0.245 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -3.287  -0.610  -3.046  0.00  0.00    -0.477 OA
ATOM     29  H   LIG    1       -3.546  -1.376  -2.485  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  22  26
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 8