REMARK  Name = BDB001667
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.006   0.098  -1.089  0.00  0.00    +0.132 S 
ATOM      2  O   LIG    1        0.148  -0.776  -2.235  0.00  0.00    -0.140 OA
ATOM      3  O   LIG    1        0.322   1.502  -1.262  0.00  0.00    -0.140 OA
ENDROOT
BRANCH   1   8
ATOM      4  C   LIG    1       -4.681  -2.478  -0.673  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1       -3.816  -1.274  -0.398  0.00  0.00    -0.045 A 
ATOM      6  C   LIG    1       -2.437  -1.246  -0.704  0.00  0.00    -0.020 A 
ATOM      7  C   LIG    1       -1.794  -2.488  -1.278  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1       -1.705  -0.047  -0.466  0.00  0.00    +0.125 A 
ATOM      9  C   LIG    1       -2.305   1.051   0.215  0.00  0.00    -0.020 A 
ATOM     10  C   LIG    1       -1.520   2.274   0.630  0.00  0.00    +0.046 C 
ATOM     11  C   LIG    1       -3.686   0.996   0.510  0.00  0.00    -0.045 A 
ATOM     12  C   LIG    1       -4.417   2.135   1.174  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -4.415  -0.159   0.200  0.00  0.00    +0.007 A 
ENDBRANCH   1   8
BRANCH   1  14
ATOM     14  O   LIG    1        0.878  -0.504   0.151  0.00  0.00    -0.109 OA
BRANCH  14  15
ATOM     15  N   LIG    1        2.223  -0.165   0.045  0.00  0.00    -0.079 N 
ATOM     16  C   LIG    1        2.751   0.826   0.808  0.00  0.00    +0.279 C 
ATOM     17  O   LIG    1        2.210   1.617   1.557  0.00  0.00    -0.267 OA
ATOM     18  C   LIG    1        4.200   0.703   0.640  0.00  0.00    +0.052 A 
ATOM     19  C   LIG    1        4.439  -0.447  -0.102  0.00  0.00    +0.052 A 
ATOM     20  C   LIG    1        5.718  -0.868  -0.405  0.00  0.00    +0.014 A 
ATOM     21  C   LIG    1        6.775  -0.078   0.058  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        6.532   1.091   0.812  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        5.227   1.492   1.117  0.00  0.00    +0.014 A 
ATOM     24  C   LIG    1        3.141  -1.055  -0.405  0.00  0.00    +0.279 C 
ATOM     25  O   LIG    1        3.000  -2.163  -0.884  0.00  0.00    -0.267 OA
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 3