REMARK  Name = BDB023299
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.965  -1.273   2.069  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -0.847  -2.188   1.654  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.005  -0.262   1.949  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -0.192   0.870   2.368  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.199  -0.690   1.263  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        2.139   0.268   0.975  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        3.174  -0.340   0.338  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        2.922  -1.695   0.204  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        3.890  -2.475  -0.437  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        5.064  -1.881  -0.912  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        5.300  -0.507  -0.754  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        3.702  -3.792  -0.604  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        4.329   0.292  -0.123  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        1.652  -1.917   0.801  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        6.486   0.077  -1.253  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        7.750  -0.570  -1.469  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        8.354   0.834  -1.571  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        7.108   1.293  -0.807  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.399  -1.117   2.883  0.00  0.00    +0.075 S 
ATOM     20  O   LIG    1       -3.074  -2.385   2.693  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.144  -0.609   4.211  0.00  0.00    -0.150 OA
BRANCH  19  28
ATOM     22  C   LIG    1       -5.067  -0.305  -2.197  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1       -5.643   0.528  -1.053  0.00  0.00    +0.028 C 
ATOM     24  C   LIG    1       -4.733   0.657   0.124  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -4.707   1.985   0.534  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1       -4.003   2.400   1.647  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1       -3.283   1.442   2.362  0.00  0.00    +0.032 A 
ATOM     28  C   LIG    1       -3.285   0.099   1.940  0.00  0.00    +0.109 A 
ATOM     29  O   LIG    1       -5.463   2.819  -0.248  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -4.027  -0.310   0.823  0.00  0.00    +0.036 A 
ATOM     31  C   LIG    1       -5.732   2.023  -1.429  0.00  0.00    +0.240 C 
ATOM     32  C   LIG    1       -7.008  -0.020  -0.620  0.00  0.00    +0.019 C 
ENDBRANCH  19  28
ENDBRANCH   1  19
TORSDOF 4