REMARK  Name = BDB001963
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.923   1.053  -0.975  0.00  0.00    -0.189 NA
ATOM      2  H   LIG    1        0.430   0.887  -1.856  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  S   LIG    1        2.501   1.572  -1.196  0.00  0.00    +0.058 S 
ATOM      4  O   LIG    1        2.882   1.181  -2.535  0.00  0.00    -0.153 OA
ATOM      5  O   LIG    1        2.594   2.941  -0.742  0.00  0.00    -0.153 OA
BRANCH   3   6
ATOM      6  C   LIG    1        3.383   0.528  -0.064  0.00  0.00    +0.105 A 
ATOM      7  C   LIG    1        3.544  -0.827  -0.372  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        4.243  -1.652   0.509  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        4.780  -1.122   1.684  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        4.624   0.234   1.982  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        3.926   1.065   1.105  0.00  0.00    +0.028 A 
ENDBRANCH   3   6
ENDBRANCH   1   3
BRANCH   1  12
ATOM     12  C   LIG    1        0.134   1.646   0.114  0.00  0.00    +0.116 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -1.115   0.799   0.385  0.00  0.00    +0.086 C 
BRANCH  13  14
ATOM     14  S   LIG    1       -2.204   0.747  -1.089  0.00  0.00    -0.153 S 
BRANCH  14  16
ATOM     15  C   LIG    1       -2.843  -1.900  -0.516  0.00  0.00    +0.022 C 
ATOM     16  C   LIG    1       -3.473  -0.504  -0.588  0.00  0.00    +0.008 C 
ATOM     17  C   LIG    1       -4.548  -0.492  -1.687  0.00  0.00    +0.022 C 
ATOM     18  C   LIG    1       -4.121  -0.136   0.751  0.00  0.00    +0.022 C 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   1  12
TORSDOF 6