REMARK  Name = BDB003559
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.015  -0.272   2.314  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1       -3.020  -0.368   0.912  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1       -1.841  -0.185   0.173  0.00  0.00    +0.101 A 
ATOM      4  C   LIG    1       -0.640   0.062   0.838  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1       -0.622   0.168   2.235  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -1.800  -0.005   2.964  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -4.947   0.587   3.719  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -4.255  -0.469   3.083  0.00  0.00    -0.004 A 
ATOM      9  C   LIG    1       -4.778  -1.772   3.195  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -5.943  -2.026   3.921  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -6.608  -0.981   4.553  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -6.112   0.318   4.454  0.00  0.00    +0.015 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -5.300   2.789   2.137  0.00  0.00    +0.090 C 
ATOM     14  S   LIG    1       -4.410   2.298   3.636  0.00  0.00    -0.128 S 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  S   LIG    1       -1.903  -0.390  -1.589  0.00  0.00    -0.005 S 
ATOM     16  O   LIG    1       -0.752  -1.178  -1.980  0.00  0.00    -0.170 OA
ATOM     17  O   LIG    1       -3.237  -0.876  -1.901  0.00  0.00    -0.170 OA
ATOM     18  C   LIG    1       -1.781   1.237  -2.278  0.00  0.00    +0.200 C 
ENDBRANCH   3  15
BRANCH   4  19
ATOM     19  C   LIG    1        0.622   0.323   0.133  0.00  0.00    +0.248 C 
ATOM     20  N   LIG    1        1.607  -0.658   0.119  0.00  0.00    -0.299 N 
ATOM     21  C   LIG    1        1.366  -2.058   0.453  0.00  0.00    +0.132 C 
ATOM     22  O   LIG    1        0.740   1.437  -0.371  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1        2.835  -0.365  -0.626  0.00  0.00    +0.123 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.687  -0.583  -2.149  0.00  0.00    +0.103 C 
BRANCH  24  25
ATOM     25  N   LIG    1        3.861  -0.259  -2.974  0.00  0.00    -0.301 NA
ATOM     26  C   LIG    1        4.204   1.167  -2.987  0.00  0.00    +0.084 C 
ATOM     27  C   LIG    1        5.569   1.474  -2.377  0.00  0.00    +0.015 C 
ATOM     28  C   LIG    1        6.684   0.687  -3.062  0.00  0.00    +0.002 C 
ATOM     29  C   LIG    1        6.222  -0.689  -3.540  0.00  0.00    +0.015 C 
ATOM     30  C   LIG    1        4.989  -1.169  -2.776  0.00  0.00    +0.084 C 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   4  19
TORSDOF 7