REMARK  Name = BDB052618
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.132  -0.364  -1.347  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1        0.805   0.490  -1.948  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1        2.162   0.400  -1.625  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1        2.619  -0.546  -0.697  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        1.685  -1.417  -0.120  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        0.328  -1.333  -0.445  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        4.046  -0.641  -0.356  0.00  0.00    -0.004 A 
ATOM      8  C   LIG    1        4.732   0.317   0.421  0.00  0.00    +0.067 A 
ATOM      9  C   LIG    1        6.109   0.166   0.672  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        6.811  -0.925   0.161  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        6.146  -1.877  -0.603  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.780  -1.736  -0.858  0.00  0.00    +0.009 A 
BRANCH   8  13
ATOM     13  C   LIG    1        4.023   1.478   1.026  0.00  0.00    +0.337 C 
ATOM     14  O   LIG    1        2.860   1.550   1.367  0.00  0.00    -0.245 OA
BRANCH  13  15
ATOM     15  O   LIG    1        4.842   2.540   1.167  0.00  0.00    -0.477 OA
ATOM     16  H   LIG    1        4.260   3.223   1.563  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   8  13
ENDBRANCH   4   7
BRANCH   1  17
ATOM     17  C   LIG    1       -1.591  -0.251  -1.718  0.00  0.00    +0.158 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -2.623   0.673   0.405  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1       -2.485  -0.299  -0.568  0.00  0.00    -0.323 N 
ATOM     20  C   LIG    1       -3.377  -1.314  -0.292  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -4.023  -0.892   0.866  0.00  0.00    +0.089 A 
ATOM     22  C   LIG    1       -5.014  -1.700   1.441  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1       -5.330  -2.920   0.831  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -4.670  -3.326  -0.329  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -3.678  -2.532  -0.917  0.00  0.00    +0.028 A 
ATOM     26  N   LIG    1       -3.548   0.324   1.279  0.00  0.00    -0.232 NA
BRANCH  18  27
ATOM     27  C   LIG    1       -1.795   1.921   0.467  0.00  0.00    +0.074 C 
BRANCH  27  29
ATOM     28  C   LIG    1       -3.677   3.636   0.449  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1       -2.483   3.071   1.208  0.00  0.00    +0.004 C 
ENDBRANCH  27  29
ENDBRANCH  18  27
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 7