REMARK  Name = BDB027168
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -1.552   2.802   0.606  0.00  0.00    +0.059 S 
ATOM      2  O   LIG    1       -1.586   3.184   2.000  0.00  0.00    -0.153 OA
ATOM      3  O   LIG    1       -1.658   3.772  -0.460  0.00  0.00    -0.153 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1       -0.086   1.842   0.327  0.00  0.00    +0.105 A 
ATOM      5  C   LIG    1        0.323   1.586  -0.983  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        1.470   0.819  -1.208  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        2.226   0.312  -0.136  0.00  0.00    -0.018 A 
ATOM      8  C   LIG    1        1.802   0.604   1.174  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        0.656   1.369   1.409  0.00  0.00    +0.029 A 
BRANCH   7  10
ATOM     10  C   LIG    1        3.432  -0.497  -0.378  0.00  0.00    -0.018 A 
ATOM     11  C   LIG    1        4.664  -0.152   0.202  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        5.809  -0.921  -0.027  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        5.740  -2.049  -0.839  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        4.528  -2.409  -1.424  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        3.385  -1.639  -1.195  0.00  0.00    +0.008 A 
ENDBRANCH   7  10
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  N   LIG    1       -2.771   1.684   0.356  0.00  0.00    -0.185 NA
ATOM     17  H   LIG    1       -3.123   1.635  -0.601  0.00  0.00    +0.148 HD
BRANCH  16  20
ATOM     18  N   LIG    1       -3.712  -1.105  -0.361  0.00  0.00    -0.268 N 
ATOM     19  C   LIG    1       -2.503  -0.782   0.453  0.00  0.00    +0.136 C 
ATOM     20  C   LIG    1       -2.887   0.492   1.215  0.00  0.00    +0.096 C 
ATOM     21  C   LIG    1       -4.356   0.240   1.521  0.00  0.00    +0.041 C 
ATOM     22  C   LIG    1       -4.889  -0.433   0.260  0.00  0.00    +0.118 C 
BRANCH  18  24
ATOM     23  N   LIG    1       -3.861  -3.055  -1.910  0.00  0.00    -0.174 NA
ATOM     24  C   LIG    1       -3.795  -2.149  -1.194  0.00  0.00    +0.169 C 
ENDBRANCH  18  24
ENDBRANCH  16  20
ENDBRANCH   1  16
TORSDOF 5