REMARK  Name = BDB058924
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.640  -0.666  -0.426  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.991   0.435   0.151  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        0.404   0.593   0.063  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1        1.165  -0.379  -0.622  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        2.558  -0.227  -0.716  0.00  0.00    +0.021 A 
ATOM      6  C   LIG    1        3.199   0.870  -0.127  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1        2.443   1.842   0.537  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        0.511  -1.478  -1.195  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        1.056   1.699   0.633  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -0.877  -1.620  -1.096  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1  13
ATOM     11  O   LIG    1       -3.594  -2.604  -1.575  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1       -3.892  -1.688  -0.819  0.00  0.00    +0.248 C 
ATOM     13  N   LIG    1       -3.043  -0.740  -0.279  0.00  0.00    -0.281 N 
ATOM     14  H   LIG    1       -3.468   0.029   0.222  0.00  0.00    +0.155 HD
BRANCH  12  15
ATOM     15  C   LIG    1       -5.326  -1.529  -0.453  0.00  0.00    +0.038 A 
ATOM     16  C   LIG    1       -6.298  -1.838  -1.413  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1       -7.655  -1.710  -1.107  0.00  0.00    +0.060 A 
ATOM     18 CL   LIG    1       -8.799  -2.092  -2.344  0.00  0.00    -0.082 Cl
ATOM     19  C   LIG    1       -8.046  -1.284   0.168  0.00  0.00    +0.059 A 
ATOM     20 CL   LIG    1       -9.704  -1.101   0.619  0.00  0.00    -0.082 Cl
ATOM     21  C   LIG    1       -7.076  -0.994   1.133  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1       -5.718  -1.119   0.828  0.00  0.00    +0.014 A 
ENDBRANCH  12  15
ENDBRANCH   1  13
BRANCH   6  23
ATOM     23  C   LIG    1        4.680   0.978  -0.255  0.00  0.00    +0.250 C 
ATOM     24  N   LIG    1        5.309   1.505   0.850  0.00  0.00    -0.261 N 
ATOM     25  H   LIG    1        4.801   1.701   1.697  0.00  0.00    +0.157 HD
ATOM     26  O   LIG    1        5.200   0.569  -1.284  0.00  0.00    -0.270 OA
BRANCH  24  27
ATOM     27  C   LIG    1        6.662   1.696   0.902  0.00  0.00    +0.165 A 
ATOM     28  S   LIG    1        7.215   2.283   2.410  0.00  0.00    -0.061 S 
ATOM     29  C   LIG    1        8.819   2.283   1.798  0.00  0.00    +0.068 A 
ATOM     30  C   LIG    1        8.811   1.841   0.492  0.00  0.00    +0.120 A 
ATOM     31  N   LIG    1        7.572   1.509  -0.017  0.00  0.00    -0.233 NA
ENDBRANCH  24  27
ENDBRANCH   6  23
TORSDOF 4