REMARK  Name = BDB023151
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.076   2.339   0.411  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1        0.653   2.833   1.186  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.389   1.377  -0.336  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1        0.928   0.718  -1.212  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.001   1.232   0.053  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1       -1.724   0.225  -0.538  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1       -2.986   0.267  -0.037  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1       -3.101   1.296   0.882  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1       -4.343   1.478   1.500  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1       -5.414   0.638   1.178  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -5.274  -0.391   0.234  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1       -4.517   2.453   2.404  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -4.027  -0.593  -0.386  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1       -1.824   1.915   0.937  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1       -6.364  -1.237  -0.068  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1       -7.762  -0.932   0.055  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1       -8.020  -2.164  -0.819  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1       -6.566  -1.996  -1.271  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1        2.648   2.791   0.147  0.00  0.00    +0.075 S 
ATOM     20  O   LIG    1        2.827   3.113  -1.250  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        2.928   3.776   1.173  0.00  0.00    -0.150 OA
BRANCH  19  24
ATOM     22  C   LIG    1        4.721  -0.681  -0.168  0.00  0.00    -0.046 A 
ATOM     23  C   LIG    1        3.968   0.461  -0.474  0.00  0.00    +0.032 A 
ATOM     24  C   LIG    1        3.574   1.332   0.545  0.00  0.00    +0.109 A 
ATOM     25  C   LIG    1        3.949   1.096   1.871  0.00  0.00    +0.029 A 
ATOM     26  C   LIG    1        4.701  -0.037   2.178  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        5.081  -0.921   1.165  0.00  0.00    +0.004 A 
BRANCH  22  28
ATOM     28  C   LIG    1        5.143  -1.632  -1.262  0.00  0.00    +0.035 C 
BRANCH  28  30
ATOM     29  C   LIG    1        7.581  -0.913  -1.453  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1        6.247  -1.080  -2.168  0.00  0.00    +0.001 C 
ENDBRANCH  28  30
ENDBRANCH  22  28
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 6