REMARK  Name = BDB050578
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.836  -1.209   0.606  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1        1.655  -1.099  -0.138  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1        0.766  -0.039   0.079  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        1.041   0.920   1.051  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        2.218   0.814   1.794  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        3.107  -0.242   1.580  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        3.808  -2.341   0.352  0.00  0.00    +0.059 C 
BRANCH   7  11
ATOM      8  O   LIG    1        5.079   0.673  -3.287  0.00  0.00    -0.263 OA
ATOM      9  C   LIG    1        5.139  -0.108  -2.354  0.00  0.00    +0.279 C 
ATOM     10  S   LIG    1        4.359  -1.668  -2.340  0.00  0.00    -0.054 S 
ATOM     11  C   LIG    1        4.932  -2.051  -0.649  0.00  0.00    +0.146 C 
ATOM     12  C   LIG    1        5.783  -0.869  -0.239  0.00  0.00    +0.234 C 
ATOM     13  O   LIG    1        6.381  -0.776   0.825  0.00  0.00    -0.274 OA
ATOM     14  N   LIG    1        5.821   0.093  -1.203  0.00  0.00    -0.246 N 
ATOM     15  H   LIG    1        6.333   0.948  -1.062  0.00  0.00    +0.158 HD
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  O   LIG    1        0.267   2.001   1.368  0.00  0.00    -0.490 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.060   2.074   0.841  0.00  0.00    +0.250 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.025   1.245   1.683  0.00  0.00    +0.162 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -3.379   1.293   1.161  0.00  0.00    -0.343 N 
ATOM     20  C   LIG    1       -3.929   0.402   0.261  0.00  0.00    +0.051 A 
ATOM     21  C   LIG    1       -5.237   0.834   0.013  0.00  0.00    -0.000 A 
ATOM     22  C   LIG    1       -6.040   0.106  -0.889  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1       -5.517  -1.030  -1.516  0.00  0.00    +0.021 A 
ATOM     24  C   LIG    1       -4.216  -1.442  -1.249  0.00  0.00    +0.043 A 
ATOM     25 CL   LIG    1       -3.593  -2.846  -2.031  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1       -5.455   1.996   0.799  0.00  0.00    +0.027 A 
ATOM     27  C   LIG    1       -3.397  -0.741  -0.359  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1       -4.299   2.253   1.499  0.00  0.00    +0.087 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 6