REMARK  Name = BDB003563
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.680   1.316  -0.518  0.00  0.00    -0.013 A 
ATOM      2  C   LIG    1       -2.426   0.243  -1.390  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1       -1.205  -0.447  -1.351  0.00  0.00    +0.101 A 
ATOM      4  C   LIG    1       -0.212  -0.041  -0.460  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1       -0.452   1.020   0.423  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -1.675   1.694   0.388  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -5.197   1.389  -0.263  0.00  0.00    +0.128 A 
ATOM      8  C   LIG    1       -3.970   2.030  -0.554  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1       -3.988   3.397  -0.893  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -5.184   4.112  -0.946  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -6.385   3.471  -0.661  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -6.393   2.116  -0.321  0.00  0.00    +0.046 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -6.332  -0.612   0.394  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -5.120   0.060   0.078  0.00  0.00    -0.495 OA
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  S   LIG    1       -0.938  -1.769  -2.502  0.00  0.00    -0.005 S 
ATOM     16  O   LIG    1       -2.017  -1.708  -3.474  0.00  0.00    -0.170 OA
ATOM     17  O   LIG    1        0.433  -1.692  -2.966  0.00  0.00    -0.170 OA
ATOM     18  C   LIG    1       -1.169  -3.257  -1.567  0.00  0.00    +0.200 C 
ENDBRANCH   3  15
BRANCH   4  19
ATOM     19  C   LIG    1        1.071  -0.746  -0.326  0.00  0.00    +0.248 C 
ATOM     20  N   LIG    1        2.217  -0.176  -0.869  0.00  0.00    -0.300 N 
ATOM     21  C   LIG    1        2.219   0.977  -1.765  0.00  0.00    +0.132 C 
ATOM     22  O   LIG    1        1.048  -1.795   0.312  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1        3.479  -0.900  -0.729  0.00  0.00    +0.114 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.252  -0.265   0.412  0.00  0.00    +0.041 C 
ATOM     25  C   LIG    1        3.772  -0.544   1.853  0.00  0.00    +0.114 C 
ATOM     26  N   LIG    1        5.182  -0.726   2.174  0.00  0.00    -0.301 N 
ATOM     27  C   LIG    1        5.701  -1.212   3.345  0.00  0.00    +0.212 C 
ATOM     28  O   LIG    1        5.068  -1.248   4.396  0.00  0.00    -0.276 OA
ATOM     29  C   LIG    1        7.118  -1.711   3.252  0.00  0.00    +0.109 C 
ATOM     30  C   LIG    1        5.558  -0.991   0.795  0.00  0.00    +0.114 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   4  19
TORSDOF 6