REMARK  Name = BDB003557
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.839   0.730   0.329  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1        2.605  -0.013  -0.840  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1        1.391  -0.692  -1.029  0.00  0.00    +0.101 A 
ATOM      4  C   LIG    1        0.398  -0.611  -0.053  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1        0.633   0.099   1.133  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        1.844   0.769   1.316  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        4.259   2.818   0.171  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        4.104   1.456   0.510  0.00  0.00    -0.004 A 
ATOM      9  C   LIG    1        5.209   0.767   1.044  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        6.433   1.408   1.242  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        6.574   2.752   0.912  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.492   3.454   0.382  0.00  0.00    +0.015 A 
BRANCH   7  14
ATOM     13  C   LIG    1        3.322   3.613  -2.273  0.00  0.00    +0.090 C 
ATOM     14  S   LIG    1        2.925   3.804  -0.516  0.00  0.00    -0.128 S 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  S   LIG    1        1.129  -1.549  -2.560  0.00  0.00    -0.005 S 
ATOM     16  O   LIG    1        2.236  -1.190  -3.431  0.00  0.00    -0.170 OA
ATOM     17  O   LIG    1       -0.227  -1.286  -2.998  0.00  0.00    -0.170 OA
ATOM     18  C   LIG    1        1.313  -3.271  -2.185  0.00  0.00    +0.200 C 
ENDBRANCH   3  15
BRANCH   4  19
ATOM     19  C   LIG    1       -0.879  -1.331  -0.158  0.00  0.00    +0.248 C 
ATOM     20  N   LIG    1       -2.041  -0.621  -0.467  0.00  0.00    -0.297 N 
ATOM     21  C   LIG    1       -2.013   0.764  -0.943  0.00  0.00    +0.132 C 
ATOM     22  O   LIG    1       -0.827  -2.535   0.080  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.298  -1.392  -0.592  0.00  0.00    +0.076 C 
ATOM     24  C   LIG    1       -4.143  -0.987  -1.808  0.00  0.00    +0.028 C 
BRANCH  23  25
ATOM     25  C   LIG    1       -4.152  -1.404   0.698  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1       -4.657  -0.056   1.209  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -5.187  -0.373   2.606  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1       -4.400  -1.594   3.085  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -3.458  -1.963   1.942  0.00  0.00    +0.005 C 
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH   4  19
TORSDOF 6