REMARK  Name = BDB023326
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.143  -0.363   0.176  0.00  0.00    +0.298 C 
ATOM      2  N   LIG    1        2.076  -1.405   0.231  0.00  0.00    -0.179 N 
ATOM      3  H   LIG    1        1.814  -2.382   0.254  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1        1.479   0.806   0.060  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1       -4.806  -0.737   0.020  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1       -3.665   0.073  -0.106  0.00  0.00    +0.070 A 
ATOM      7  C   LIG    1       -2.416  -0.526   0.066  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1       -2.228  -1.868   0.343  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1       -0.823  -2.055   0.440  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1       -0.232  -0.821   0.213  0.00  0.00    +0.192 A 
ATOM     11  C   LIG    1       -3.367  -2.671   0.457  0.00  0.00    +0.136 A 
ATOM     12  F   LIG    1       -3.254  -3.981   0.718  0.00  0.00    -0.205 F 
ATOM     13  O   LIG    1       -1.217   0.109  -0.014  0.00  0.00    -0.450 OA
ATOM     14  C   LIG    1       -4.636  -2.106   0.292  0.00  0.00    +0.062 A 
BRANCH   5  17
ATOM     15  C   LIG    1       -6.262   1.887   1.180  0.00  0.00    +0.031 C 
ATOM     16  C   LIG    1       -6.614   1.141  -0.102  0.00  0.00    +0.031 C 
ATOM     17  N   LIG    1       -6.106  -0.210  -0.149  0.00  0.00    -0.324 N 
ATOM     18  C   LIG    1       -7.347  -0.798   0.270  0.00  0.00    +0.108 C 
ATOM     19  C   LIG    1       -8.029   0.519  -0.093  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1       -6.327   1.929  -1.373  0.00  0.00    +0.031 C 
ENDBRANCH   5  17
ENDBRANCH   1  10
BRANCH   2  21
ATOM     21  S   LIG    1        3.697  -1.174   0.525  0.00  0.00    +0.075 S 
ATOM     22  O   LIG    1        4.253  -2.512   0.532  0.00  0.00    -0.150 OA
ATOM     23  O   LIG    1        3.786  -0.312   1.681  0.00  0.00    -0.150 OA
BRANCH  21  24
ATOM     24  C   LIG    1        4.345  -0.364  -0.920  0.00  0.00    +0.116 A 
ATOM     25  C   LIG    1        5.534   0.387  -0.848  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1        5.976   1.032  -2.020  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1        5.275   0.923  -3.223  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        4.118   0.154  -3.283  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        3.654  -0.493  -2.139  0.00  0.00    +0.029 A 
BRANCH  25  30
ATOM     30  C   LIG    1        6.365   0.502   0.358  0.00  0.00    -0.016 A 
ATOM     31  C   LIG    1        6.390   1.693   1.101  0.00  0.00    +0.008 A 
ATOM     32  C   LIG    1        7.194   1.809   2.237  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        7.988   0.738   2.642  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        7.978  -0.450   1.913  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1        7.174  -0.566   0.777  0.00  0.00    +0.008 A 
ENDBRANCH  25  30
ENDBRANCH  21  24
ENDBRANCH   2  21
TORSDOF 5