REMARK  Name = BDB023202
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.172   0.848  -0.813  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -0.597   0.547  -1.596  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.542   1.178   0.390  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -1.133   1.643   1.352  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.872   0.878   0.368  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.431   0.349  -0.770  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.758   0.168  -0.521  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        3.065   0.573   0.769  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        4.394   0.447   1.189  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        5.357  -0.069   0.315  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        5.022  -0.460  -0.990  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        4.756   0.812   2.426  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.688  -0.351  -1.422  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        1.848   1.030   1.335  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        6.007  -0.990  -1.853  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        7.424  -0.756  -1.803  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        7.483  -1.339  -3.219  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        5.992  -0.998  -3.290  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.647   1.441  -1.259  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -2.621   2.881  -1.148  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.980   0.789  -2.508  0.00  0.00    -0.150 OA
BRANCH  19  24
ATOM     22  C   LIG    1       -5.754   2.615  -0.775  0.00  0.00    +0.069 C 
ATOM     23  C   LIG    1       -5.158   1.465  -0.051  0.00  0.00    +0.087 A 
ATOM     24  C   LIG    1       -3.866   0.912  -0.184  0.00  0.00    +0.149 A 
ATOM     25  C   LIG    1       -3.823  -0.144   0.698  0.00  0.00    +0.137 A 
ATOM     26  N   LIG    1       -5.039  -0.153   1.321  0.00  0.00    -0.267 N 
ATOM     27  N   LIG    1       -5.873   0.806   0.873  0.00  0.00    -0.174 NA
BRANCH  26  28
ATOM     28  C   LIG    1       -5.492  -1.062   2.369  0.00  0.00    +0.101 C 
ATOM     29  C   LIG    1       -5.539  -2.507   1.874  0.00  0.00    +0.032 C 
ATOM     30  C   LIG    1       -4.639  -0.931   3.630  0.00  0.00    +0.032 C 
ENDBRANCH  26  28
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 5