REMARK  Name = BDB033423
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.174   2.728   0.881  0.00  0.00    -0.212 N 
ATOM      2  H   LIG    1       -1.125   3.176  -0.033  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1       -4.478  -1.992   1.300  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -3.596  -0.783   1.129  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -2.880  -0.503  -0.068  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -2.080   0.648  -0.129  0.00  0.00    +0.071 A 
ATOM      7  N   LIG    1       -1.476   0.656  -1.369  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1       -0.770   1.324  -1.657  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1       -1.882  -0.420  -2.108  0.00  0.00    +0.102 A 
ATOM     10  C   LIG    1       -1.975   1.549   0.939  0.00  0.00    +0.072 A 
ATOM     11  C   LIG    1       -2.658   1.247   2.116  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -2.751  -1.157  -1.335  0.00  0.00    +0.077 A 
ATOM     13  C   LIG    1       -3.453   0.109   2.210  0.00  0.00    +0.006 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -3.376  -2.369  -1.764  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1       -3.883  -3.353  -2.114  0.00  0.00    -0.191 NA
ENDBRANCH  12  14
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  S   LIG    1        0.389   2.630   1.557  0.00  0.00    +0.096 S 
ATOM     17  O   LIG    1        0.932   3.973   1.519  0.00  0.00    -0.148 OA
ATOM     18  O   LIG    1        0.350   1.859   2.781  0.00  0.00    -0.148 OA
BRANCH  16  19
ATOM     19  C   LIG    1        1.399   1.721   0.398  0.00  0.00    +0.236 A 
ATOM     20  S   LIG    1        2.820   0.979   0.983  0.00  0.00    -0.045 S 
ATOM     21  C   LIG    1        3.159   0.438  -0.600  0.00  0.00    +0.061 A 
ATOM     22  C   LIG    1        2.178   0.870  -1.469  0.00  0.00    +0.130 A 
ATOM     23  N   LIG    1        1.154   1.614  -0.901  0.00  0.00    -0.228 NA
BRANCH  21  24
ATOM     24  C   LIG    1        4.392  -0.417  -1.026  0.00  0.00    +0.101 A 
ATOM     25  N   LIG    1        4.576  -0.797  -2.297  0.00  0.00    -0.173 NA
ATOM     26  N   LIG    1        5.719  -1.503  -2.261  0.00  0.00    -0.284 N 
ATOM     27  H   LIG    1        6.067  -1.903  -3.128  0.00  0.00    +0.188 HD
ATOM     28  C   LIG    1        6.268  -1.585  -1.016  0.00  0.00    +0.105 A 
ATOM     29  C   LIG    1        5.425  -0.886  -0.185  0.00  0.00    +0.049 A 
ENDBRANCH  21  24
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5