REMARK  Name = BDB050360
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.920   0.368  -0.536  0.00  0.00    -0.322 N 
ATOM      2  C   LIG    1        0.693   0.521   0.110  0.00  0.00    +0.168 A 
ATOM      3  N   LIG    1       -0.149  -0.425   0.369  0.00  0.00    -0.156 NA
ATOM      4  S   LIG    1        0.456   2.267   0.469  0.00  0.00    -0.028 S 
ATOM      5  C   LIG    1        2.002   2.642  -0.221  0.00  0.00    +0.183 A 
ATOM      6  C   LIG    1        2.628   1.555  -0.694  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1        2.626   3.943  -0.327  0.00  0.00    +0.065 N 
ATOM      8  O   LIG    1        1.990   4.917   0.095  0.00  0.00    -0.126 OA
ATOM      9  O   LIG    1        3.754   4.006  -0.839  0.00  0.00    -0.126 OA
ENDBRANCH   5   7
BRANCH   3  10
ATOM     10  C   LIG    1       -1.292  -0.122   1.065  0.00  0.00    +0.244 C 
ATOM     11  O   LIG    1       -1.278   0.275   2.226  0.00  0.00    -0.273 OA
BRANCH  10  12
ATOM     12  C   LIG    1       -2.603  -0.442   0.322  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -2.776  -1.966   0.278  0.00  0.00    +0.020 C 
ATOM     14  C   LIG    1       -2.573   0.123  -1.105  0.00  0.00    +0.020 C 
ATOM     15  C   LIG    1       -3.789   0.183   1.074  0.00  0.00    +0.020 C 
ENDBRANCH  10  12
ENDBRANCH   3  10
BRANCH   1  16
ATOM     16  C   LIG    1        2.439  -0.945  -0.889  0.00  0.00    +0.150 C 
BRANCH  16  18
ATOM     17  C   LIG    1        2.953  -2.466   1.046  0.00  0.00    +0.005 C 
ATOM     18  C   LIG    1        3.292  -1.453   0.237  0.00  0.00    -0.013 C 
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 5