REMARK  Name = BDB025199
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.863  -0.490   0.454  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1       -4.609  -1.109   0.350  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1       -4.631  -2.569   0.178  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1       -4.570  -2.957  -1.304  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1       -3.552  -3.234   1.026  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1       -2.178  -2.723   0.647  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -2.143  -1.226   0.505  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.893  -0.564   0.490  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.358  -1.107   0.620  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1        1.213  -0.109   0.539  0.00  0.00    +0.116 A 
ATOM     11  N   LIG    1        0.542   1.092   0.371  0.00  0.00    -0.323 N 
ATOM     12  C   LIG    1       -0.811   0.811   0.314  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1       -1.954   1.585   0.120  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -3.193   0.926   0.128  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -3.324  -0.455   0.344  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1       -6.920  -1.055   0.180  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1        1.156   2.405   0.272  0.00  0.00    +0.111 C 
ATOM     18  C   LIG    1        0.703   3.394   1.345  0.00  0.00    +0.191 C 
ATOM     19  S   LIG    1        1.183   4.989   0.710  0.00  0.00    -0.029 S 
ATOM     20  O   LIG    1        2.408   5.396   1.364  0.00  0.00    -0.174 OA
ATOM     21  O   LIG    1        0.007   5.832   0.659  0.00  0.00    -0.174 OA
ATOM     22  C   LIG    1        1.579   4.466  -0.951  0.00  0.00    +0.168 C 
ATOM     23  C   LIG    1        0.960   3.083  -1.092  0.00  0.00    +0.049 C 
ENDBRANCH  11  17
BRANCH   1  25
ATOM     24  C   LIG    1       -7.114   1.377   1.139  0.00  0.00    +0.282 C 
ATOM     25  O   LIG    1       -5.831   0.773   0.965  0.00  0.00    -0.453 OA
ENDBRANCH   1  25
BRANCH  10  26
ATOM     26  C   LIG    1        2.712  -0.275   0.617  0.00  0.00    +0.073 C 
ATOM     27  C   LIG    1        3.187   0.011   2.046  0.00  0.00    +0.017 C 
BRANCH  26  28
ATOM     28  C   LIG    1        3.108  -1.693   0.162  0.00  0.00    +0.154 C 
BRANCH  28  29
ATOM     29  N   LIG    1        4.499  -1.777  -0.248  0.00  0.00    -0.271 N 
ATOM     30  N   LIG    1        5.467  -1.942   0.669  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        6.588  -1.980  -0.055  0.00  0.00    +0.137 A 
ATOM     32  C   LIG    1        6.346  -1.831  -1.439  0.00  0.00    -0.013 A 
ATOM     33  C   LIG    1        7.340  -1.829  -2.535  0.00  0.00    +0.047 C 
ATOM     34  C   LIG    1        4.976  -1.702  -1.526  0.00  0.00    +0.111 A 
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  10  26
TORSDOF 5