REMARK  Name = BDB060835
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.267  -0.805   0.521  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1       -0.352  -0.016  -0.215  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1       -0.840   0.837  -1.222  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1       -2.210   0.944  -1.468  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -3.110   0.211  -0.704  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -2.641  -0.644   0.294  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        1.088  -0.104   0.038  0.00  0.00    +0.164 A 
ATOM      8  N   LIG    1        1.968   0.943  -0.079  0.00  0.00    -0.316 N 
ATOM      9  H   LIG    1        1.755   1.894  -0.330  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1        3.186   0.452   0.265  0.00  0.00    +0.186 A 
ATOM     11  N   LIG    1        3.094  -0.814   0.580  0.00  0.00    -0.123 NA
ATOM     12  N   LIG    1        1.767  -1.166   0.445  0.00  0.00    -0.128 NA
BRANCH  10  13
ATOM     13  S   LIG    1        4.588   1.438   0.262  0.00  0.00    -0.104 S 
ATOM     14  H   LIG    1        5.444   0.491   0.674  0.00  0.00    +0.110 HD
ENDBRANCH  10  13
ENDBRANCH   2   7
BRANCH   1  15
ATOM     15  N   LIG    1       -0.859  -1.577   1.629  0.00  0.00    -0.357 N 
ATOM     16  H   LIG    1       -1.461  -2.370   1.818  0.00  0.00    +0.142 HD
ATOM     17  H   LIG    1        0.124  -1.857   1.557  0.00  0.00    +0.142 HD
ENDBRANCH   1  15
TORSDOF 3