REMARK  Name = BDB023257
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.615  -1.389  -1.568  0.00  0.00    -0.177 N 
ATOM      2  H   LIG    1       -1.166  -2.255  -1.839  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.845  -0.298  -1.147  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -1.313   0.824  -1.034  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.527  -0.647  -0.828  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.373   0.373  -0.468  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.593  -0.167  -0.212  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        2.556  -1.538  -0.398  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        3.737  -2.256  -0.177  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        4.898  -1.584   0.219  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.907  -0.194   0.410  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        3.767  -3.585  -0.344  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.729   0.540   0.181  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        1.226  -1.844  -0.793  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        6.093   0.467   0.797  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        7.205  -0.087   1.518  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        7.660   1.356   1.757  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        6.204   1.734   1.466  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -3.072  -1.207  -2.354  0.00  0.00    +0.094 S 
ATOM     20  O   LIG    1       -2.752  -0.828  -3.714  0.00  0.00    -0.148 OA
ATOM     21  O   LIG    1       -3.813  -2.426  -2.095  0.00  0.00    -0.148 OA
BRANCH  19  25
ATOM     22  C   LIG    1       -3.947  -2.043   0.982  0.00  0.00    +0.044 C 
ATOM     23  C   LIG    1       -4.579  -0.687   0.837  0.00  0.00    -0.035 A 
ATOM     24  C   LIG    1       -4.567   0.107  -0.340  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1       -4.053   0.071  -1.675  0.00  0.00    +0.227 A 
ATOM     26  N   LIG    1       -4.408   1.157  -2.394  0.00  0.00    -0.148 NA
ATOM     27  N   LIG    1       -5.096   1.906  -1.517  0.00  0.00    -0.248 N 
ATOM     28  C   LIG    1       -5.617   3.184  -1.936  0.00  0.00    +0.174 C 
ATOM     29  C   LIG    1       -5.242   1.327  -0.289  0.00  0.00    +0.160 A 
ATOM     30  N   LIG    1       -5.918   1.855   0.751  0.00  0.00    -0.236 NA
ATOM     31  C   LIG    1       -5.912   1.070   1.842  0.00  0.00    +0.113 A 
ATOM     32  C   LIG    1       -5.287  -0.164   1.936  0.00  0.00    +0.024 A 
ENDBRANCH  19  25
ENDBRANCH   1  19
TORSDOF 4