REMARK  Name = BDB007935
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.079  -1.870   0.689  0.00  0.00    -0.036 A 
ATOM      2  C   LIG    1        1.542  -1.766  -0.632  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        2.488  -2.669  -1.126  0.00  0.00    +0.008 A 
ATOM      4  C   LIG    1        2.945  -3.707  -0.311  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1        2.472  -3.832   0.995  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.546  -2.916   1.494  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        0.084  -0.870   1.226  0.00  0.00    +0.155 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -1.360  -1.279   1.030  0.00  0.00    +0.312 C 
ATOM      9  O   LIG    1       -1.769  -2.416   0.839  0.00  0.00    -0.250 OA
BRANCH   8  10
ATOM     10  O   LIG    1       -2.159  -0.180   1.138  0.00  0.00    -0.460 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -3.550  -0.455   0.955  0.00  0.00    +0.268 C 
BRANCH  11  14
ATOM     12  C   LIG    1       -4.654   0.619   3.512  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -4.811   1.366   2.214  0.00  0.00    -0.044 A 
ATOM     14  C   LIG    1       -4.295   0.865   0.993  0.00  0.00    -0.004 A 
ATOM     15  C   LIG    1       -4.444   1.635  -0.187  0.00  0.00    -0.044 A 
ATOM     16  C   LIG    1       -3.889   1.179  -1.511  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1       -5.144   2.851  -0.140  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -5.673   3.321   1.057  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -5.505   2.586   2.226  0.00  0.00    +0.004 A 
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   3  20
ATOM     20  S   LIG    1        3.107  -2.492  -2.786  0.00  0.00    -0.120 S 
BRANCH  20  21
ATOM     21  C   LIG    1        4.607  -1.505  -2.441  0.00  0.00    +0.110 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.314  -0.029  -2.301  0.00  0.00    -0.023 A 
ATOM     23  C   LIG    1        4.199   0.653  -1.073  0.00  0.00    +0.063 A 
ATOM     24  C   LIG    1        3.836   2.012  -1.052  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1        3.614   2.711  -2.237  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        3.741   2.056  -3.456  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        4.083   0.703  -3.487  0.00  0.00    +0.005 A 
BRANCH  23  28
ATOM     28  C   LIG    1        4.406   0.044   0.262  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1        3.770   0.309   1.266  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1        5.470  -0.772   0.304  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1        5.496  -1.065   1.240  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  23  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 10