REMARK  Name = BDB003566
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.535   1.053  -0.231  0.00  0.00    -0.013 A 
ATOM      2  C   LIG    1       -1.542  -0.004   0.696  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1       -0.637  -1.069   0.583  0.00  0.00    +0.101 A 
ATOM      4  C   LIG    1        0.311  -1.065  -0.441  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1        0.324  -0.025  -1.378  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -0.589   1.026  -1.268  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -3.891   1.977  -0.213  0.00  0.00    +0.128 A 
ATOM      8  C   LIG    1       -2.494   2.169  -0.114  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1       -2.006   3.471   0.110  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -2.874   4.555   0.234  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.246   4.356   0.135  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -4.754   3.074  -0.088  0.00  0.00    +0.046 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -5.711   0.458  -0.532  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -4.311   0.690  -0.447  0.00  0.00    -0.495 OA
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  S   LIG    1       -0.664  -2.341   1.818  0.00  0.00    -0.005 S 
ATOM     16  O   LIG    1       -1.526  -1.871   2.889  0.00  0.00    -0.170 OA
ATOM     17  O   LIG    1        0.709  -2.696   2.122  0.00  0.00    -0.170 OA
ATOM     18  C   LIG    1       -1.487  -3.718   1.063  0.00  0.00    +0.200 C 
ENDBRANCH   3  15
BRANCH   4  19
ATOM     19  C   LIG    1        1.258  -2.170  -0.654  0.00  0.00    +0.248 C 
ATOM     20  N   LIG    1        2.601  -1.980  -0.341  0.00  0.00    -0.296 N 
ATOM     21  C   LIG    1        3.493  -3.109  -0.556  0.00  0.00    +0.132 C 
ATOM     22  O   LIG    1        0.788  -3.187  -1.156  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1        3.062  -0.951   0.597  0.00  0.00    +0.144 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.217  -0.194   0.022  0.00  0.00    -0.013 A 
ATOM     25  C   LIG    1        5.526  -0.210   0.473  0.00  0.00    +0.087 A 
ATOM     26  N   LIG    1        6.272   0.623  -0.317  0.00  0.00    -0.367 N 
ATOM     27  H   LIG    1        7.263   0.797  -0.212  0.00  0.00    +0.165 HD
ATOM     28  C   LIG    1        5.466   1.188  -1.268  0.00  0.00    +0.083 A 
ATOM     29  C   LIG    1        4.190   0.705  -1.084  0.00  0.00    +0.024 A 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   4  19
TORSDOF 6