REMARK  Name = BDB003570
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.243  -1.104   1.256  0.00  0.00    -0.013 A 
ATOM      2  C   LIG    1        2.026  -1.792   0.050  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1        0.943  -1.470  -0.783  0.00  0.00    +0.101 A 
ATOM      4  C   LIG    1        0.048  -0.472  -0.395  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1        0.256   0.231   0.798  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        1.341  -0.090   1.617  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        4.412  -0.527   2.430  0.00  0.00    +0.128 A 
ATOM      8  C   LIG    1        3.384  -1.450   2.126  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        3.458  -2.746   2.675  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        4.516  -3.119   3.504  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        5.518  -2.203   3.800  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        5.468  -0.913   3.267  0.00  0.00    +0.046 A 
BRANCH   7  14
ATOM     13  C   LIG    1        5.346   1.649   2.091  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        4.300   0.716   1.856  0.00  0.00    -0.495 OA
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  S   LIG    1        0.686  -2.428  -2.253  0.00  0.00    -0.005 S 
ATOM     16  O   LIG    1       -0.734  -2.693  -2.371  0.00  0.00    -0.170 OA
ATOM     17  O   LIG    1        1.610  -3.549  -2.186  0.00  0.00    -0.170 OA
ATOM     18  C   LIG    1        1.221  -1.406  -3.598  0.00  0.00    +0.200 C 
ENDBRANCH   3  15
BRANCH   4  19
ATOM     19  C   LIG    1       -1.072  -0.033  -1.241  0.00  0.00    +0.248 C 
ATOM     20  N   LIG    1       -2.371  -0.373  -0.872  0.00  0.00    -0.297 N 
ATOM     21  C   LIG    1       -2.664  -1.422   0.104  0.00  0.00    +0.132 C 
ATOM     22  O   LIG    1       -0.754   0.661  -2.202  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.535   0.135  -1.627  0.00  0.00    +0.076 C 
ATOM     24  C   LIG    1       -3.427  -0.092  -3.140  0.00  0.00    +0.028 C 
BRANCH  23  25
ATOM     25  C   LIG    1       -3.954   1.581  -1.284  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1       -2.982   2.713  -1.608  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -3.608   3.916  -0.908  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1       -4.309   3.351   0.328  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -4.236   1.829   0.201  0.00  0.00    +0.005 C 
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH   4  19
TORSDOF 6