REMARK  Name = BDB003544
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.423  -1.288  -0.124  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1        1.257  -0.146  -0.924  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1        0.223   0.767  -0.667  0.00  0.00    +0.101 A 
ATOM      4  C   LIG    1       -0.680   0.515   0.366  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1       -0.524  -0.619   1.173  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        0.519  -1.513   0.926  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        3.860  -1.980  -0.018  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        2.519  -2.236  -0.383  0.00  0.00    -0.004 A 
ATOM      9  C   LIG    1        2.219  -3.452  -1.028  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        3.215  -4.392  -1.298  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        4.529  -4.137  -0.925  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.850  -2.940  -0.285  0.00  0.00    +0.015 A 
BRANCH   7  14
ATOM     13  C   LIG    1        5.290   0.312  -0.506  0.00  0.00    +0.090 C 
ATOM     14  S   LIG    1        4.355  -0.476   0.831  0.00  0.00    -0.128 S 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  S   LIG    1        0.051   2.175  -1.731  0.00  0.00    -0.005 S 
ATOM     16  O   LIG    1       -1.363   2.381  -1.977  0.00  0.00    -0.170 OA
ATOM     17  O   LIG    1        0.944   1.960  -2.858  0.00  0.00    -0.170 OA
ATOM     18  C   LIG    1        0.705   3.542  -0.811  0.00  0.00    +0.200 C 
ENDBRANCH   3  15
BRANCH   4  19
ATOM     19  C   LIG    1       -1.765   1.444   0.713  0.00  0.00    +0.249 C 
ATOM     20  N   LIG    1       -3.066   1.122   0.352  0.00  0.00    -0.296 N 
ATOM     21  C   LIG    1       -3.448  -0.051  -0.425  0.00  0.00    +0.132 C 
ATOM     22  O   LIG    1       -1.443   2.442   1.352  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -4.140   1.991   0.817  0.00  0.00    +0.147 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.708   1.448   2.073  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1       -4.177   1.499   3.341  0.00  0.00    +0.235 A 
ATOM     26  O   LIG    1       -5.009   0.884   4.217  0.00  0.00    -0.363 OA
ATOM     27  N   LIG    1       -6.122   0.414   3.537  0.00  0.00    -0.086 NA
ATOM     28  C   LIG    1       -5.929   0.764   2.264  0.00  0.00    +0.161 A 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   4  19
TORSDOF 6