REMARK  Name = BDB033406
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.109   1.258  -2.764  0.00  0.00    -0.212 N 
ATOM      2  H   LIG    1       -1.115   0.385  -3.289  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1       -4.522   1.547   1.889  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -3.618   1.408   0.691  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -3.006   0.181   0.315  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -2.176   0.154  -0.816  0.00  0.00    +0.071 A 
ATOM      7  N   LIG    1       -1.688  -1.131  -0.929  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1       -0.988  -1.417  -1.605  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1       -2.197  -1.928   0.057  0.00  0.00    +0.102 A 
ATOM     10  C   LIG    1       -1.942   1.286  -1.607  0.00  0.00    +0.072 A 
ATOM     11  C   LIG    1       -2.525   2.488  -1.211  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -3.017  -1.149   0.843  0.00  0.00    +0.077 A 
ATOM     13  C   LIG    1       -3.347   2.550  -0.089  0.00  0.00    +0.006 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -3.722  -1.631   1.991  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1       -4.290  -2.030   2.921  0.00  0.00    -0.191 NA
ENDBRANCH  12  14
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  S   LIG    1        0.493   1.811  -2.575  0.00  0.00    +0.096 S 
ATOM     17  O   LIG    1        0.502   3.021  -1.781  0.00  0.00    -0.148 OA
ATOM     18  O   LIG    1        1.090   1.759  -3.895  0.00  0.00    -0.148 OA
BRANCH  16  19
ATOM     19  C   LIG    1        1.374   0.560  -1.652  0.00  0.00    +0.236 A 
ATOM     20  S   LIG    1        2.762   1.034  -0.787  0.00  0.00    -0.045 S 
ATOM     21  C   LIG    1        3.003  -0.600  -0.287  0.00  0.00    +0.059 A 
ATOM     22  C   LIG    1        1.998  -1.380  -0.839  0.00  0.00    +0.130 A 
ATOM     23  N   LIG    1        1.064  -0.727  -1.627  0.00  0.00    -0.228 NA
BRANCH  21  24
ATOM     24  C   LIG    1        4.130  -0.979   0.572  0.00  0.00    +0.082 A 
ATOM     25  N   LIG    1        4.646   0.010   1.330  0.00  0.00    -0.235 NA
ATOM     26  C   LIG    1        5.669  -0.322   2.128  0.00  0.00    +0.221 A 
ATOM     27  N   LIG    1        6.216  -1.540   2.237  0.00  0.00    -0.244 NA
ATOM     28  C   LIG    1        5.673  -2.495   1.465  0.00  0.00    +0.114 A 
ATOM     29  C   LIG    1        4.619  -2.270   0.608  0.00  0.00    +0.048 A 
ENDBRANCH  21  24
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5