REMARK  Name = BDB058923
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.303   1.539  -1.080  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        0.482   0.998  -0.342  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1        0.752   0.729   0.991  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        0.306  -0.085   1.414  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -0.839   0.559  -0.859  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -1.940   0.376  -0.018  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -3.150  -0.033  -0.575  0.00  0.00    +0.072 A 
ATOM      8  N   LIG    1       -3.274  -0.263  -1.907  0.00  0.00    -0.255 NA
ATOM      9  C   LIG    1       -2.201  -0.060  -2.700  0.00  0.00    +0.112 A 
ATOM     10  C   LIG    1       -0.973   0.353  -2.229  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -4.369  -0.254   0.231  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -5.288  -1.260  -0.124  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -6.443  -1.494   0.629  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -6.708  -0.720   1.754  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -5.824   0.289   2.122  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -4.669   0.520   1.367  0.00  0.00    +0.010 A 
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  N   LIG    1        2.233   0.895   1.388  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1        2.697   1.582   0.775  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1        3.116  -0.581   1.430  0.00  0.00    +0.074 S 
ATOM     20  O   LIG    1        2.303  -1.594   0.787  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1        3.602  -0.757   2.781  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1        4.490  -0.208   0.375  0.00  0.00    +0.107 A 
ATOM     23  C   LIG    1        4.313  -0.233  -1.012  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        5.394   0.056  -1.845  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        6.640   0.357  -1.294  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.813   0.369   0.092  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        5.738   0.084   0.932  0.00  0.00    +0.028 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 5