REMARK  Name = BDB003568
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.487  -0.574  -0.207  0.00  0.00    -0.013 A 
ATOM      2  C   LIG    1       -1.630   0.300   0.485  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1       -0.284   0.443   0.114  0.00  0.00    +0.101 A 
ATOM      4  C   LIG    1        0.234  -0.338  -0.922  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1       -0.612  -1.204  -1.627  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -1.958  -1.317  -1.273  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -4.793   0.398   0.188  0.00  0.00    +0.128 A 
ATOM      8  C   LIG    1       -3.906  -0.705   0.179  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1       -4.404  -1.969   0.552  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -5.736  -2.140   0.927  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -6.596  -1.048   0.939  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -6.128   0.216   0.574  0.00  0.00    +0.046 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -5.181   2.660  -0.470  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -4.265   1.611  -0.183  0.00  0.00    -0.495 OA
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  S   LIG    1        0.717   1.639   0.952  0.00  0.00    -0.005 S 
ATOM     16  O   LIG    1        1.682   2.175   0.014  0.00  0.00    -0.170 OA
ATOM     17  O   LIG    1        1.141   1.017   2.192  0.00  0.00    -0.170 OA
ATOM     18  C   LIG    1       -0.355   2.992   1.357  0.00  0.00    +0.200 C 
ENDBRANCH   3  15
BRANCH   4  19
ATOM     19  C   LIG    1        1.646  -0.310  -1.350  0.00  0.00    +0.248 C 
ATOM     20  N   LIG    1        2.635  -0.784  -0.480  0.00  0.00    -0.297 N 
ATOM     21  C   LIG    1        2.342  -1.623   0.686  0.00  0.00    +0.132 C 
ATOM     22  O   LIG    1        1.866   0.097  -2.489  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1        4.034  -0.660  -0.941  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1        4.489  -1.919  -1.680  0.00  0.00    +0.028 C 
BRANCH  23  25
ATOM     25  C   LIG    1        4.945  -0.373   0.243  0.00  0.00    +0.060 C 
ATOM     26  C   LIG    1        4.822   1.010   0.905  0.00  0.00    +0.167 C 
ATOM     27  O   LIG    1        6.270   1.160   0.902  0.00  0.00    -0.379 OA
ATOM     28  C   LIG    1        6.366   0.110  -0.095  0.00  0.00    +0.167 C 
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH   4  19
TORSDOF 6