REMARK  Name = BDB003556
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.017   0.102  -1.396  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1       -1.402   1.312  -1.031  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1       -0.317   1.329  -0.141  0.00  0.00    +0.101 A 
ATOM      4  C   LIG    1        0.183   0.127   0.360  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1       -0.417  -1.087  -0.001  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -1.504  -1.096  -0.876  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -4.458   0.529  -1.935  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -3.168   0.091  -2.312  0.00  0.00    -0.004 A 
ATOM      9  C   LIG    1       -2.979  -0.372  -3.629  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -4.030  -0.394  -4.548  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -5.292   0.049  -4.169  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -5.505   0.510  -2.870  0.00  0.00    +0.015 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -5.282  -0.455   0.480  0.00  0.00    +0.090 C 
ATOM     14  S   LIG    1       -4.846   1.127  -0.287  0.00  0.00    -0.128 S 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  S   LIG    1        0.457   2.883   0.224  0.00  0.00    -0.005 S 
ATOM     16  O   LIG    1       -0.067   3.846  -0.730  0.00  0.00    -0.170 OA
ATOM     17  O   LIG    1        1.888   2.664   0.289  0.00  0.00    -0.170 OA
ATOM     18  C   LIG    1       -0.154   3.352   1.821  0.00  0.00    +0.200 C 
ENDBRANCH   3  15
BRANCH   4  19
ATOM     19  C   LIG    1        1.266   0.068   1.354  0.00  0.00    +0.248 C 
ATOM     20  N   LIG    1        2.510  -0.433   0.972  0.00  0.00    -0.297 N 
ATOM     21  C   LIG    1        2.933  -0.520  -0.425  0.00  0.00    +0.132 C 
ATOM     22  O   LIG    1        0.965   0.411   2.494  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1        3.538  -0.533   2.021  0.00  0.00    +0.076 C 
ATOM     24  C   LIG    1        4.290   0.787   2.207  0.00  0.00    +0.028 C 
BRANCH  23  25
ATOM     25  C   LIG    1        4.500  -1.666   1.748  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1        4.052  -3.099   1.906  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1        5.029  -2.508   2.883  0.00  0.00    +0.005 C 
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH   4  19
TORSDOF 6