REMARK  Name = BDB060840
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.104   1.510  -0.229  0.00  0.00    +0.106 A 
ATOM      2  C   LIG    1        0.913   0.609  -0.561  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1        1.957   0.355   0.339  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1        1.969   1.038   1.566  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        0.966   1.961   1.882  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1       -0.070   2.205   0.982  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        2.986  -0.618  -0.022  0.00  0.00    +0.162 A 
ATOM      8  N   LIG    1        4.233  -0.708   0.546  0.00  0.00    -0.316 N 
ATOM      9  H   LIG    1        4.625  -0.123   1.265  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1        4.861  -1.734  -0.084  0.00  0.00    +0.186 A 
ATOM     11  N   LIG    1        4.078  -2.261  -0.987  0.00  0.00    -0.123 NA
ATOM     12  N   LIG    1        2.895  -1.553  -0.954  0.00  0.00    -0.129 NA
BRANCH  10  13
ATOM     13  S   LIG    1        6.463  -2.191   0.322  0.00  0.00    -0.104 S 
ATOM     14  H   LIG    1        6.570  -3.187  -0.571  0.00  0.00    +0.110 HD
ENDBRANCH  10  13
ENDBRANCH   3   7
BRANCH   1  16
ATOM     15  O   LIG    1       -1.995   3.110  -1.042  0.00  0.00    -0.153 OA
ATOM     16  S   LIG    1       -1.408   1.836  -1.399  0.00  0.00    +0.061 S 
ATOM     17  O   LIG    1       -0.872   1.603  -2.722  0.00  0.00    -0.153 OA
BRANCH  16  18
ATOM     18  N   LIG    1       -2.544   0.631  -1.068  0.00  0.00    -0.172 NA
ATOM     19  C   LIG    1       -3.300   0.698   0.213  0.00  0.00    +0.137 C 
ATOM     20  C   LIG    1       -3.058  -0.561   1.052  0.00  0.00    +0.177 C 
ATOM     21  O   LIG    1       -3.447  -1.773   0.392  0.00  0.00    -0.377 OA
ATOM     22  C   LIG    1       -3.340  -1.708  -1.039  0.00  0.00    +0.177 C 
ATOM     23  C   LIG    1       -2.238  -0.755  -1.516  0.00  0.00    +0.137 C 
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 4