REMARK  Name = BDB051191
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.227   2.930  -1.111  0.00  0.00    +0.195 A 
ATOM      2  N   LIG    1        0.673   3.456  -2.257  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1        0.344   2.824  -3.385  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -0.457   1.673  -3.410  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1       -0.732   1.051  -4.658  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -0.229   1.579  -5.850  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        0.552   2.724  -5.812  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.907   1.232  -2.152  0.00  0.00    +0.136 A 
ATOM      9  C   LIG    1        0.831   3.329  -4.585  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -0.544   1.843  -1.010  0.00  0.00    -0.206 NA
ENDROOT
BRANCH   8  11
ATOM     11  N   LIG    1       -1.716   0.067  -2.067  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1       -2.402   0.043  -2.816  0.00  0.00    +0.155 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -2.058  -0.568  -0.914  0.00  0.00    +0.120 A 
ATOM     14  N   LIG    1       -1.366  -0.420   0.263  0.00  0.00    -0.264 N 
ATOM     15  H   LIG    1       -0.564   0.182   0.419  0.00  0.00    +0.190 HD
ATOM     16  N   LIG    1       -1.859  -1.154   1.283  0.00  0.00    -0.177 NA
ATOM     17  C   LIG    1       -2.909  -1.765   0.729  0.00  0.00    +0.068 A 
ATOM     18  C   LIG    1       -3.072  -1.456  -0.636  0.00  0.00    +0.068 A 
BRANCH  17  19
ATOM     19  C   LIG    1       -3.837  -2.726   1.520  0.00  0.00    +0.040 C 
ATOM     20  C   LIG    1       -4.441  -2.254   2.817  0.00  0.00    +0.010 C 
ATOM     21  C   LIG    1       -5.311  -2.418   1.605  0.00  0.00    +0.010 C 
ENDBRANCH  17  19
ENDBRANCH  11  13
ENDBRANCH   8  11
BRANCH   1  22
ATOM     22  S   LIG    1        0.727   3.722   0.399  0.00  0.00    -0.050 S 
BRANCH  22  26
ATOM     23  C   LIG    1        2.757   0.113   2.407  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        1.556   0.632   2.912  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1        0.949   1.744   2.316  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1        1.527   2.345   1.197  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1        2.735   1.841   0.703  0.00  0.00    +0.017 A 
ATOM     28  C   LIG    1        3.345   0.733   1.304  0.00  0.00    +0.024 A 
BRANCH  23  31
ATOM     29  C   LIG    1        4.716  -2.870   3.661  0.00  0.00    +0.109 C 
ATOM     30  C   LIG    1        4.437  -1.715   2.727  0.00  0.00    +0.214 C 
ATOM     31  N   LIG    1        3.292  -1.018   3.058  0.00  0.00    -0.286 N 
ATOM     32  H   LIG    1        2.771  -1.355   3.855  0.00  0.00    +0.155 HD
ATOM     33  O   LIG    1        5.188  -1.491   1.782  0.00  0.00    -0.276 OA
ENDBRANCH  23  31
ENDBRANCH  22  26
ENDBRANCH   1  22
TORSDOF 6