REMARK  Name = BDB007930
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.341   0.318   0.061  0.00  0.00    -0.037 A 
ATOM      2  C   LIG    1       -1.325   0.085   1.032  0.00  0.00    +0.005 A 
ATOM      3  C   LIG    1       -2.670  -0.018   0.668  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1       -3.050   0.112  -0.671  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1       -2.071   0.327  -1.645  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -0.726   0.431  -1.281  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        1.113   0.398   0.453  0.00  0.00    +0.155 C 
BRANCH   7   8
ATOM      8  C   LIG    1        1.750  -0.961   0.612  0.00  0.00    +0.311 C 
ATOM      9  O   LIG    1        1.980  -1.487   1.694  0.00  0.00    -0.250 OA
BRANCH   8  10
ATOM     10  O   LIG    1        2.017  -1.506  -0.609  0.00  0.00    -0.464 OA
BRANCH  10  11
ATOM     11  C   LIG    1        2.683  -2.780  -0.608  0.00  0.00    +0.237 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.043  -2.645  -1.295  0.00  0.00    +0.076 C 
BRANCH  12  16
ATOM     13  C   LIG    1        6.734  -0.046   0.883  0.00  0.00    +0.161 A 
ATOM     14  C   LIG    1        6.175   0.380  -0.338  0.00  0.00    +0.162 A 
ATOM     15  C   LIG    1        5.313  -0.472  -1.040  0.00  0.00    +0.053 A 
ATOM     16  C   LIG    1        4.996  -1.745  -0.542  0.00  0.00    -0.040 A 
ATOM     17  C   LIG    1        5.556  -2.158   0.670  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1        6.419  -1.315   1.377  0.00  0.00    +0.049 A 
BRANCH  13  20
ATOM     19  C   LIG    1        8.102   0.471   2.771  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1        7.569   0.846   1.510  0.00  0.00    -0.491 OA
ENDBRANCH  13  20
BRANCH  14  21
ATOM     21  O   LIG    1        6.529   1.640  -0.755  0.00  0.00    -0.491 OA
ATOM     22  C   LIG    1        5.961   2.121  -1.964  0.00  0.00    +0.277 C 
ENDBRANCH  14  21
ENDBRANCH  12  16
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  23
ATOM     23  S   LIG    1       -4.756  -0.045  -1.159  0.00  0.00    -0.120 S 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.434   1.453  -0.360  0.00  0.00    +0.110 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -6.942   1.394  -0.324  0.00  0.00    -0.023 A 
ATOM     26  C   LIG    1       -7.636   0.667   0.661  0.00  0.00    +0.063 A 
ATOM     27  C   LIG    1       -9.035   0.599   0.660  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1       -9.759   1.250  -0.336  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -9.088   1.966  -1.326  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -7.691   2.037  -1.322  0.00  0.00    +0.005 A 
BRANCH  26  31
ATOM     31  C   LIG    1       -6.910  -0.053   1.725  0.00  0.00    +0.337 C 
ATOM     32  O   LIG    1       -6.281   0.499   2.608  0.00  0.00    -0.245 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -7.019  -1.389   1.577  0.00  0.00    -0.477 OA
ATOM     34  H   LIG    1       -7.444  -1.657   0.738  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  26  31
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 13