REMARK  Name = BDB054359
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.133   1.318  -1.044  0.00  0.00    +0.059 C 
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1       -3.208   0.246  -0.489  0.00  0.00    +0.228 A 
ATOM      3  O   LIG    1       -2.820  -0.872  -1.181  0.00  0.00    -0.440 OA
ATOM      4  C   LIG    1       -1.512  -0.638  -1.501  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1       -0.816  -1.689  -2.263  0.00  0.00    +0.088 C 
ATOM      6  C   LIG    1       -1.164   0.593  -0.987  0.00  0.00    +0.083 A 
ATOM      7  N   LIG    1       -2.253   1.147  -0.352  0.00  0.00    -0.214 NA
BRANCH   2  11
ATOM      8  C   LIG    1       -7.246   0.403   0.938  0.00  0.00    +0.120 A 
ATOM      9  C   LIG    1       -6.359   1.454   1.176  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -5.043   1.395   0.707  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1       -4.587   0.282  -0.011  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1       -5.485  -0.769  -0.246  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1       -6.804  -0.711   0.224  0.00  0.00    +0.046 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -9.443  -0.457   1.234  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1       -8.501   0.586   1.450  0.00  0.00    -0.495 OA
ENDBRANCH   8  15
ENDBRANCH   2  11
ENDBRANCH   1   6
BRANCH   1  16
ATOM     16  C   LIG    1        0.734   1.607   0.335  0.00  0.00    +0.006 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.096   0.369   1.164  0.00  0.00    +0.001 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.095  -0.598   0.519  0.00  0.00    +0.008 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.441   0.016   0.107  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1        4.335  -1.037  -0.547  0.00  0.00    +0.169 C 
ATOM     21  O   LIG    1        5.603  -0.487  -0.910  0.00  0.00    -0.340 OA
ATOM     22  C   LIG    1        6.264   0.137   0.205  0.00  0.00    +0.267 C 
ATOM     23  C   LIG    1        7.463   0.887  -0.385  0.00  0.00    +0.087 C 
ATOM     24  O   LIG    1        5.455   1.133   0.807  0.00  0.00    -0.340 OA
ATOM     25  C   LIG    1        4.212   0.625   1.274  0.00  0.00    +0.169 C 
BRANCH  22  26
ATOM     26  C   LIG    1        6.871  -0.964   1.143  0.00  0.00    +0.365 C 
ATOM     27  O   LIG    1        7.001  -0.882   2.355  0.00  0.00    -0.245 OA
BRANCH  26  28
ATOM     28  O   LIG    1        7.234  -2.079   0.446  0.00  0.00    -0.477 OA
ATOM     29  H   LIG    1        6.995  -1.972  -0.502  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 9