REMARK  Name = BDB017181
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.468  -0.785   1.610  0.00  0.00    +0.025 A 
ATOM      2  C   LIG    1       -2.441   0.233   1.630  0.00  0.00    -0.007 A 
ATOM      3  C   LIG    1       -2.910   0.658   2.887  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -2.441   0.082   4.072  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -1.498  -0.940   4.026  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.012  -1.379   2.797  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -3.010   0.829   0.411  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -2.835   2.193   0.127  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -3.370   2.759  -1.033  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -4.095   1.969  -1.923  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -4.286   0.616  -1.653  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.750   0.051  -0.494  0.00  0.00    +0.008 A 
ENDBRANCH   2   7
BRANCH   1  13
ATOM     13  C   LIG    1       -0.867  -1.284   0.351  0.00  0.00    +0.168 C 
ATOM     14  O   LIG    1       -1.022  -2.466   0.054  0.00  0.00    -0.292 OA
BRANCH  13  17
ATOM     15  N   LIG    1        2.353  -0.022  -1.120  0.00  0.00    -0.302 NA
ATOM     16  C   LIG    1        1.476  -0.653  -0.128  0.00  0.00    +0.095 C 
ATOM     17  C   LIG    1        0.006  -0.325  -0.446  0.00  0.00    +0.074 C 
ATOM     18  C   LIG    1       -0.311  -0.407  -1.947  0.00  0.00    +0.014 C 
ATOM     19  C   LIG    1        0.755  -1.198  -2.694  0.00  0.00    +0.016 C 
ATOM     20  C   LIG    1        2.160  -0.631  -2.452  0.00  0.00    +0.084 C 
BRANCH  15  21
ATOM     21  C   LIG    1        3.775  -0.048  -0.748  0.00  0.00    +0.084 C 
BRANCH  21  23
ATOM     22  C   LIG    1        5.601   0.955   0.672  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1        4.104   0.912   0.402  0.00  0.00    +0.012 C 
ENDBRANCH  21  23
ENDBRANCH  15  21
ENDBRANCH  13  17
ENDBRANCH   1  13
TORSDOF 5