REMARK  Name = BDB064755
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.806  -0.614   0.334  0.00  0.00    +0.017 A 
ATOM      2  C   LIG    1        1.111  -1.590   1.296  0.00  0.00    +0.124 A 
ATOM      3  C   LIG    1        2.410  -1.731   1.785  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        3.426  -0.899   1.310  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        3.152   0.076   0.345  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        1.842   0.205  -0.142  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        4.223   0.933  -0.150  0.00  0.00    -0.011 A 
ATOM      8  C   LIG    1        4.067   2.301  -0.274  0.00  0.00    +0.053 A 
ATOM      9  S   LIG    1        5.475   3.075  -0.867  0.00  0.00    -0.104 S 
ATOM     10  C   LIG    1        6.318   1.591  -0.955  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        5.542   0.530  -0.541  0.00  0.00    +0.016 A 
ENDBRANCH   5   7
BRANCH   1  13
ATOM     12  C   LIG    1       -1.644  -0.290   0.491  0.00  0.00    +0.009 C 
ATOM     13  C   LIG    1       -0.532  -0.425  -0.249  0.00  0.00    +0.012 C 
BRANCH  12  16
ATOM     14  C   LIG    1       -5.348  -0.613  -0.019  0.00  0.00    +0.121 A 
ATOM     15  C   LIG    1       -4.062  -0.793   0.488  0.00  0.00    +0.053 A 
ATOM     16  C   LIG    1       -2.983  -0.101  -0.080  0.00  0.00    -0.018 A 
ATOM     17  C   LIG    1       -3.221   0.787  -1.139  0.00  0.00    +0.053 A 
ATOM     18  C   LIG    1       -4.516   0.954  -1.628  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1       -5.583   0.257  -1.076  0.00  0.00    +0.090 A 
BRANCH  14  20
ATOM     20  O   LIG    1       -6.417  -1.281   0.506  0.00  0.00    -0.507 OA
ATOM     21  H   LIG    1       -6.101  -1.861   1.217  0.00  0.00    +0.292 HD
ENDBRANCH  14  20
BRANCH  18  22
ATOM     22  O   LIG    1       -4.779   1.809  -2.659  0.00  0.00    -0.507 OA
ATOM     23  H   LIG    1       -3.948   2.227  -2.938  0.00  0.00    +0.292 HD
ENDBRANCH  18  22
ENDBRANCH  12  16
ENDBRANCH   1  13
BRANCH   2  24
ATOM     24  O   LIG    1        0.129  -2.428   1.753  0.00  0.00    -0.506 OA
ATOM     25  H   LIG    1        0.525  -3.081   2.352  0.00  0.00    +0.292 HD
ENDBRANCH   2  24
TORSDOF 6