REMARK  Name = BDB061219
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.637  -3.063   0.004  0.00  0.00    -0.153 OA
ATOM      2  S   LIG    1        1.310  -1.851  -0.713  0.00  0.00    +0.059 S 
ATOM      3  O   LIG    1        1.237  -1.815  -2.157  0.00  0.00    -0.153 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1        2.441  -0.589  -0.182  0.00  0.00    +0.105 A 
ATOM      5  C   LIG    1        2.886  -0.585   1.143  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1        3.777   0.402   1.564  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        4.224   1.370   0.662  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1        3.788   1.352  -0.664  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        2.897   0.368  -1.093  0.00  0.00    +0.028 A 
ENDBRANCH   2   4
BRANCH   2  10
ATOM     10  N   LIG    1       -0.149  -1.313  -0.108  0.00  0.00    -0.186 NA
ATOM     11  H   LIG    1       -0.382  -1.642   0.826  0.00  0.00    +0.148 HD
BRANCH  10  12
ATOM     12  C   LIG    1       -0.674  -0.025  -0.541  0.00  0.00    +0.141 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -2.122   0.123  -0.145  0.00  0.00    -0.032 A 
ATOM     14  C   LIG    1       -2.506   1.018   0.865  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -3.848   1.138   1.230  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -4.817   0.364   0.594  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -4.447  -0.533  -0.406  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -3.106  -0.655  -0.773  0.00  0.00    +0.005 A 
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   2  10
TORSDOF 4