REMARK  Name = BDB060838
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.145  -0.445  -0.128  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        0.940   0.258  -0.065  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1       -0.296  -0.415  -0.087  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1       -0.297  -1.815  -0.173  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        0.905  -2.522  -0.236  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        2.119  -1.837  -0.213  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.532   0.369  -0.019  0.00  0.00    +0.162 A 
ATOM      8  N   LIG    1       -2.806  -0.142  -0.030  0.00  0.00    -0.316 N 
ATOM      9  H   LIG    1       -3.081  -1.109  -0.086  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -3.644   0.922   0.049  0.00  0.00    +0.186 A 
ATOM     11  N   LIG    1       -2.962   2.034   0.107  0.00  0.00    -0.123 NA
ATOM     12  N   LIG    1       -1.628   1.688   0.064  0.00  0.00    -0.129 NA
BRANCH  10  13
ATOM     13  S   LIG    1       -5.348   0.726   0.064  0.00  0.00    -0.104 S 
ATOM     14  H   LIG    1       -5.652   2.030   0.149  0.00  0.00    +0.110 HD
ENDBRANCH  10  13
ENDBRANCH   3   7
BRANCH   1  16
ATOM     15  C   LIG    1        3.480   1.520  -0.027  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1        3.399   0.102  -0.114  0.00  0.00    -0.495 OA
ENDBRANCH   1  16
TORSDOF 3