REMARK  Name = BDB007929
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.685  -1.742  -1.470  0.00  0.00    -0.036 A 
ATOM      2  C   LIG    1       -0.936  -0.562  -0.751  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -1.975  -0.499   0.182  0.00  0.00    +0.008 A 
ATOM      4  C   LIG    1       -2.760  -1.631   0.410  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1       -2.520  -2.809  -0.300  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.486  -2.865  -1.234  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        0.468  -1.807  -2.441  0.00  0.00    +0.155 C 
BRANCH   7   8
ATOM      8  C   LIG    1        1.776  -2.180  -1.778  0.00  0.00    +0.312 C 
ATOM      9  O   LIG    1        1.915  -3.031  -0.910  0.00  0.00    -0.250 OA
BRANCH   8  10
ATOM     10  O   LIG    1        2.791  -1.436  -2.303  0.00  0.00    -0.449 OA
BRANCH  10  11
ATOM     11  C   LIG    1        4.118  -1.682  -1.794  0.00  0.00    +0.288 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.597  -3.103  -2.121  0.00  0.00    +0.348 C 
ATOM     13  O   LIG    1        4.075  -3.835  -2.956  0.00  0.00    -0.247 OA
BRANCH  12  15
ATOM     14  C   LIG    1        6.212  -4.738  -1.663  0.00  0.00    +0.280 C 
ATOM     15  O   LIG    1        5.731  -3.413  -1.428  0.00  0.00    -0.465 OA
ENDBRANCH  12  15
ENDBRANCH  11  12
BRANCH  11  16
ATOM     16  C   LIG    1        4.276  -1.317  -0.305  0.00  0.00    +0.091 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.768   0.066   0.033  0.00  0.00    -0.043 A 
ATOM     18  C   LIG    1        2.542   0.222   0.695  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        2.056   1.495   0.994  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        2.792   2.623   0.643  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.017   2.480  -0.007  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        4.504   1.207  -0.314  0.00  0.00    +0.004 A 
ENDBRANCH  16  17
ENDBRANCH  11  16
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   3  23
ATOM     23  S   LIG    1       -2.224   1.008   1.102  0.00  0.00    -0.120 S 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.947   1.386   0.631  0.00  0.00    +0.110 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.426   2.670   1.269  0.00  0.00    -0.023 A 
ATOM     26  C   LIG    1       -5.278   2.714   2.390  0.00  0.00    +0.063 A 
ATOM     27  C   LIG    1       -5.724   3.951   2.888  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1       -5.303   5.146   2.306  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -4.442   5.116   1.214  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.013   3.892   0.698  0.00  0.00    +0.005 A 
BRANCH  26  31
ATOM     31  C   LIG    1       -5.788   1.520   3.103  0.00  0.00    +0.337 C 
ATOM     32  O   LIG    1       -6.902   1.402   3.579  0.00  0.00    -0.245 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -4.853   0.572   3.270  0.00  0.00    -0.477 OA
ATOM     34  H   LIG    1       -5.287  -0.096   3.840  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  26  31
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 13