REMARK  Name = BDB045629
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.384  -1.172  -0.785  0.00  0.00    -0.185 NA
ATOM      2  H   LIG    1       -0.723  -2.121  -0.937  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   5
ATOM      3  N   LIG    1       -3.135   0.001   1.312  0.00  0.00    -0.268 N 
ATOM      4  C   LIG    1       -1.772  -0.589   1.189  0.00  0.00    +0.136 C 
ATOM      5  C   LIG    1       -1.269  -0.164  -0.198  0.00  0.00    +0.096 C 
ATOM      6  C   LIG    1       -2.557  -0.031  -0.993  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -3.502   0.612   0.009  0.00  0.00    +0.118 C 
BRANCH   3   9
ATOM      8  N   LIG    1       -4.226   0.561   3.486  0.00  0.00    -0.174 NA
ATOM      9  C   LIG    1       -3.724   0.297   2.477  0.00  0.00    +0.169 C 
ENDBRANCH   3   9
ENDBRANCH   1   5
BRANCH   1  10
ATOM     10  S   LIG    1        0.791  -0.698  -1.884  0.00  0.00    +0.059 S 
ATOM     11  O   LIG    1        0.270   0.420  -2.637  0.00  0.00    -0.153 OA
ATOM     12  O   LIG    1        1.251  -1.908  -2.526  0.00  0.00    -0.153 OA
BRANCH  10  13
ATOM     13  C   LIG    1        2.081  -0.126  -0.811  0.00  0.00    +0.105 A 
ATOM     14  C   LIG    1        2.329   1.243  -0.685  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        3.350   1.679   0.159  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        4.119   0.751   0.864  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        3.875  -0.617   0.724  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        2.856  -1.061  -0.117  0.00  0.00    +0.028 A 
ENDBRANCH  10  13
ENDBRANCH   1  10
TORSDOF 4