REMARK  Name = BDB022068
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.163   1.204  -1.279  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.027   0.409  -1.129  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1        0.080  -0.706  -0.183  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1        1.484  -0.827   0.398  0.00  0.00    +0.029 C 
ATOM      5  C   LIG    1        2.543  -1.012  -0.703  0.00  0.00    +0.048 C 
ATOM      6  C   LIG    1        2.159  -0.306  -2.016  0.00  0.00    +0.029 C 
ATOM      7  C   LIG    1        1.206   0.858  -1.775  0.00  0.00    +0.109 C 
ATOM      8  O   LIG    1       -1.165   2.286  -1.859  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        3.885  -0.532  -0.207  0.00  0.00    +0.083 A 
ATOM     10  S   LIG    1        5.102  -1.658   0.239  0.00  0.00    -0.072 S 
ATOM     11  C   LIG    1        6.159  -0.360   0.640  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.501   0.849   0.405  0.00  0.00    +0.078 A 
ATOM     13  C   LIG    1        6.183   2.054   0.667  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        7.495   2.021   1.153  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        8.130   0.804   1.380  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        7.475  -0.406   1.128  0.00  0.00    +0.017 A 
ATOM     17  N   LIG    1        4.207   0.736  -0.075  0.00  0.00    -0.244 NA
ENDBRANCH   5   9
BRANCH   1  22
ATOM     18  C   LIG    1       -4.357   1.153   0.698  0.00  0.00    +0.166 A 
ATOM     19  C   LIG    1       -4.854  -0.118   0.352  0.00  0.00    +0.204 A 
ATOM     20  C   LIG    1       -4.183  -0.943  -0.570  0.00  0.00    +0.166 A 
ATOM     21  C   LIG    1       -2.970  -0.512  -1.103  0.00  0.00    +0.062 A 
ATOM     22  C   LIG    1       -2.447   0.728  -0.719  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1       -3.142   1.570   0.157  0.00  0.00    +0.062 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -4.782   3.262   1.720  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -5.113   1.887   1.576  0.00  0.00    -0.491 OA
ENDBRANCH  18  25
BRANCH  19  26
ATOM     26  O   LIG    1       -6.071  -0.526   0.854  0.00  0.00    -0.488 OA
ATOM     27  C   LIG    1       -5.878  -1.219   2.085  0.00  0.00    +0.277 C 
ENDBRANCH  19  26
BRANCH  20  28
ATOM     28  O   LIG    1       -4.774  -2.146  -0.857  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -4.326  -2.823  -2.024  0.00  0.00    +0.277 C 
ENDBRANCH  20  28
ENDBRANCH   1  22
TORSDOF 5