REMARK  Name = BDB003558
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.387  -0.483   0.535  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1       -2.749   0.109  -0.571  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1       -1.360   0.299  -0.580  0.00  0.00    +0.101 A 
ATOM      4  C   LIG    1       -0.600  -0.110   0.519  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1       -1.223  -0.697   1.627  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -2.605  -0.892   1.626  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -5.726   0.064   1.362  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -4.848  -0.675   0.537  0.00  0.00    -0.004 A 
ATOM      9  C   LIG    1       -5.400  -1.643  -0.326  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -6.776  -1.878  -0.368  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -7.629  -1.151   0.454  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -7.107  -0.188   1.317  0.00  0.00    +0.015 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -5.085   2.730   1.362  0.00  0.00    +0.090 C 
ATOM     14  S   LIG    1       -5.175   1.330   2.508  0.00  0.00    -0.128 S 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  S   LIG    1       -0.546   0.995  -1.993  0.00  0.00    -0.005 S 
ATOM     16  O   LIG    1       -0.343   2.403  -1.726  0.00  0.00    -0.170 OA
ATOM     17  O   LIG    1        0.546   0.102  -2.332  0.00  0.00    -0.170 OA
ATOM     18  C   LIG    1       -1.680   0.891  -3.349  0.00  0.00    +0.200 C 
ENDBRANCH   3  15
BRANCH   4  19
ATOM     19  C   LIG    1        0.848   0.142   0.619  0.00  0.00    +0.248 C 
ATOM     20  N   LIG    1        1.732  -0.923   0.459  0.00  0.00    -0.299 N 
ATOM     21  C   LIG    1        1.366  -2.213  -0.113  0.00  0.00    +0.132 C 
ATOM     22  O   LIG    1        1.193   1.287   0.897  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1        3.162  -0.612   0.514  0.00  0.00    +0.123 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.708  -0.040  -0.815  0.00  0.00    +0.103 C 
BRANCH  24  25
ATOM     25  N   LIG    1        5.136   0.312  -0.858  0.00  0.00    -0.297 NA
ATOM     26  C   LIG    1        5.450   1.524  -0.081  0.00  0.00    +0.112 C 
ATOM     27  C   LIG    1        6.965   1.662   0.136  0.00  0.00    +0.175 C 
ATOM     28  O   LIG    1        7.524   0.584   0.903  0.00  0.00    -0.377 OA
ATOM     29  C   LIG    1        6.776  -0.634   0.795  0.00  0.00    +0.175 C 
ATOM     30  C   LIG    1        6.059  -0.791  -0.556  0.00  0.00    +0.112 C 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   4  19
TORSDOF 7