REMARK  Name = BDB050706
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.174  -2.063   0.726  0.00  0.00    -0.132 OA
ATOM      2  S   LIG    1        0.893  -0.942  -0.149  0.00  0.00    +0.144 S 
ATOM      3  O   LIG    1        1.056  -1.056  -1.586  0.00  0.00    -0.132 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1       -0.708  -0.371   0.199  0.00  0.00    +0.178 C 
ATOM      5  C   LIG    1       -1.750  -0.916  -0.447  0.00  0.00    +0.030 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -3.141  -0.501  -0.229  0.00  0.00    -0.024 A 
ATOM      7  C   LIG    1       -3.649  -0.236   1.050  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -4.986   0.132   1.219  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -5.830   0.227   0.114  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -5.339  -0.050  -1.160  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.003  -0.419  -1.330  0.00  0.00    +0.008 A 
ENDBRANCH   5   6
ENDBRANCH   2   4
BRANCH   2  12
ATOM     12  O   LIG    1        1.729   0.356   0.373  0.00  0.00    -0.343 OA
BRANCH  12  13
ATOM     13  C   LIG    1        3.098   0.428   0.324  0.00  0.00    +0.157 A 
ATOM     14  C   LIG    1        3.643   1.629   0.789  0.00  0.00    +0.048 A 
ATOM     15  C   LIG    1        5.024   1.826   0.792  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        5.869   0.820   0.330  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.331  -0.379  -0.135  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        3.947  -0.577  -0.138  0.00  0.00    +0.048 A 
ENDBRANCH  12  13
ENDBRANCH   2  12
TORSDOF 4