REMARK  Name = BDB003548
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.037  -0.736   0.525  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1        1.922  -0.352  -0.822  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1        0.662  -0.170  -1.412  0.00  0.00    +0.101 A 
ATOM      4  C   LIG    1       -0.491  -0.357  -0.649  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1       -0.390  -0.766   0.687  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        0.866  -0.949   1.268  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        3.960   0.073   1.961  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        3.360  -0.909   1.142  0.00  0.00    -0.004 A 
ATOM      9  C   LIG    1        4.063  -2.107   0.907  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        5.320  -2.330   1.472  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        5.896  -1.361   2.286  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.220  -0.167   2.531  0.00  0.00    +0.015 A 
BRANCH   7  14
ATOM     13  C   LIG    1        3.858   2.618   0.965  0.00  0.00    +0.090 C 
ATOM     14  S   LIG    1        3.174   1.644   2.331  0.00  0.00    -0.128 S 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  S   LIG    1        0.586   0.418  -3.084  0.00  0.00    -0.005 S 
ATOM     16  O   LIG    1        1.942   0.791  -3.454  0.00  0.00    -0.170 OA
ATOM     17  O   LIG    1       -0.466   1.412  -3.165  0.00  0.00    -0.170 OA
ATOM     18  C   LIG    1        0.159  -0.990  -4.072  0.00  0.00    +0.200 C 
ENDBRANCH   3  15
BRANCH   4  19
ATOM     19  C   LIG    1       -1.844  -0.231  -1.210  0.00  0.00    +0.248 C 
ATOM     20  N   LIG    1       -2.616   0.860  -0.845  0.00  0.00    -0.296 N 
ATOM     21  C   LIG    1       -2.147   1.962  -0.014  0.00  0.00    +0.132 C 
ATOM     22  O   LIG    1       -2.209  -1.149  -1.940  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -4.027   0.862  -1.215  0.00  0.00    +0.144 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.851   0.441  -0.038  0.00  0.00    -0.013 A 
ATOM     25  C   LIG    1       -5.016  -0.847   0.443  0.00  0.00    +0.087 A 
ATOM     26  N   LIG    1       -5.850  -0.805   1.527  0.00  0.00    -0.367 N 
ATOM     27  H   LIG    1       -6.144  -1.607   2.069  0.00  0.00    +0.165 HD
ATOM     28  C   LIG    1       -6.229   0.490   1.758  0.00  0.00    +0.083 A 
ATOM     29  C   LIG    1       -5.631   1.284   0.805  0.00  0.00    +0.024 A 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   4  19
TORSDOF 6