REMARK  Name = BDB059372
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.431  -0.364  -0.894  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1       -0.208  -1.344  -0.707  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1        0.495   0.615  -0.575  0.00  0.00    +0.259 C 
ATOM      4  O   LIG    1        0.162   1.767  -0.306  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.921   0.192  -0.540  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        2.819   0.934   0.238  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1        4.171   0.564   0.309  0.00  0.00    +0.066 A 
ATOM      8  C   LIG    1        4.620  -0.549  -0.416  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1        3.734  -1.280  -1.223  0.00  0.00    -0.048 A 
ATOM     10  C   LIG    1        4.217  -2.482  -1.983  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        2.383  -0.910  -1.273  0.00  0.00    +0.016 A 
BRANCH   7  12
ATOM     12  N   LIG    1        5.061   1.325   1.120  0.00  0.00    -0.240 N 
ATOM     13  N   LIG    1        4.618   2.397   1.827  0.00  0.00    -0.175 NA
ATOM     14  C   LIG    1        5.694   2.860   2.461  0.00  0.00    +0.135 A 
ATOM     15  C   LIG    1        6.844   2.110   2.182  0.00  0.00    +0.041 A 
ATOM     16  C   LIG    1        6.414   1.130   1.320  0.00  0.00    +0.114 A 
ENDBRANCH   7  12
ENDBRANCH   3   5
BRANCH   1  17
ATOM     17  N   LIG    1       -1.898  -0.004  -0.588  0.00  0.00    -0.107 NA
ATOM     18  H   LIG    1       -1.965   0.984  -0.288  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1       -2.588  -0.971   0.657  0.00  0.00    +0.080 S 
ATOM     20  O   LIG    1       -2.496  -0.232   1.897  0.00  0.00    -0.151 OA
ATOM     21  O   LIG    1       -1.949  -2.266   0.511  0.00  0.00    -0.151 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -5.002   0.112  -0.091  0.00  0.00    +0.149 A 
ATOM     23  C   LIG    1       -4.277  -1.060   0.181  0.00  0.00    +0.183 A 
ATOM     24  C   LIG    1       -4.895  -2.303   0.097  0.00  0.00    +0.153 A 
ATOM     25  F   LIG    1       -4.247  -3.438   0.386  0.00  0.00    -0.203 F 
ATOM     26  C   LIG    1       -6.231  -2.405  -0.278  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1       -6.957  -1.254  -0.568  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1       -6.345  -0.001  -0.474  0.00  0.00    +0.048 A 
BRANCH  22  30
ATOM     29  C   LIG    1       -5.098   2.504  -0.076  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -4.340   1.304   0.029  0.00  0.00    -0.493 OA
ENDBRANCH  22  30
ENDBRANCH  19  23
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 6