REMARK  Name = BDB059252
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.535  -0.307   1.971  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        0.347  -0.688   0.819  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1       -0.924  -0.808   0.281  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1       -1.045  -0.687  -0.727  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.488  -1.001  -0.082  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        2.747  -0.467   0.236  0.00  0.00    +0.022 A 
ATOM      7  C   LIG    1        3.867  -0.725  -0.570  0.00  0.00    -0.009 A 
ATOM      8  C   LIG    1        3.703  -1.531  -1.705  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        2.454  -2.073  -2.011  0.00  0.00    +0.042 A 
ATOM     10 CL   LIG    1        2.278  -3.072  -3.402  0.00  0.00    -0.084 Cl
ATOM     11  C   LIG    1        1.345  -1.818  -1.207  0.00  0.00    +0.033 A 
BRANCH   7  12
ATOM     12  C   LIG    1        5.169  -0.138  -0.223  0.00  0.00    +0.019 A 
ATOM     13  S   LIG    1        6.603  -1.081  -0.305  0.00  0.00    -0.097 S 
ATOM     14  C   LIG    1        7.576   0.217   0.231  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        6.835   1.349   0.478  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1        5.447   1.143   0.221  0.00  0.00    +0.016 A 
ENDBRANCH   7  12
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  N   LIG    1       -2.042  -0.145   1.111  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1       -1.694   0.103   2.051  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1       -2.686   1.267   0.384  0.00  0.00    +0.076 S 
ATOM     20  O   LIG    1       -2.441   2.349   1.312  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1       -2.211   1.319  -0.985  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -4.407   0.921   0.371  0.00  0.00    +0.142 A 
ATOM     23  C   LIG    1       -4.875  -0.130  -0.406  0.00  0.00    +0.150 A 
ATOM     24  F   LIG    1       -4.037  -0.892  -1.123  0.00  0.00    -0.203 F 
ATOM     25  C   LIG    1       -6.236  -0.420  -0.445  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1       -7.132   0.353   0.297  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -6.662   1.413   1.075  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -5.297   1.703   1.115  0.00  0.00    +0.031 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 5