REMARK  Name = BDB023167
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.088  -2.442   1.567  0.00  0.00    -0.265 OA
ATOM      2  C   LIG    1        1.342  -2.144   0.645  0.00  0.00    +0.298 C 
ATOM      3  N   LIG    1        1.652  -2.373  -0.698  0.00  0.00    -0.179 N 
ATOM      4  H   LIG    1        1.094  -1.897  -1.403  0.00  0.00    +0.177 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.067  -1.482   0.811  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1       -0.665  -1.136  -0.299  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1       -1.800  -0.525   0.139  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1       -1.811  -0.468   1.524  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1       -2.917   0.131   2.139  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1       -3.956   0.647   1.358  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -3.915   0.585  -0.043  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1       -2.992   0.216   3.475  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -2.816  -0.024  -0.674  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1       -0.607  -1.084   1.951  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1       -4.982   1.099  -0.813  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1       -4.939   1.541  -2.178  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1       -6.298   2.198  -1.919  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1       -5.915   2.124  -0.437  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  S   LIG    1        3.154  -2.803  -1.240  0.00  0.00    +0.077 S 
ATOM     20  O   LIG    1        3.178  -2.548  -2.666  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        3.435  -4.133  -0.738  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1        4.287  -1.677  -0.489  0.00  0.00    +0.136 A 
ATOM     23  C   LIG    1        4.005  -0.310  -0.516  0.00  0.00    +0.116 A 
ATOM     24  C   LIG    1        4.951   0.559   0.086  0.00  0.00    +0.091 A 
ATOM     25  N   LIG    1        4.774   1.893   0.112  0.00  0.00    -0.252 NA
ATOM     26  C   LIG    1        3.652   2.373  -0.462  0.00  0.00    +0.131 A 
ATOM     27  C   LIG    1        2.721   1.545  -1.043  0.00  0.00    +0.131 A 
ATOM     28  C   LIG    1        6.096   0.038   0.676  0.00  0.00    +0.030 A 
ATOM     29  C   LIG    1        6.351  -1.331   0.699  0.00  0.00    +0.004 A 
ATOM     30  N   LIG    1        2.876   0.204  -1.073  0.00  0.00    -0.250 NA
ATOM     31  C   LIG    1        5.441  -2.197   0.114  0.00  0.00    +0.031 A 
ENDBRANCH  19  22
ENDBRANCH   3  19
TORSDOF 4