REMARK  Name = BDB023284
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.280   2.640  -1.288  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -0.771   3.146  -0.571  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.883   1.337  -1.622  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -1.641   0.536  -2.150  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.488   1.045  -1.252  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        0.930  -0.246  -1.405  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.225  -0.294  -0.995  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        2.640   0.958  -0.575  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        3.958   1.086  -0.123  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        4.801  -0.029  -0.102  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.352  -1.290  -0.524  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        4.423   2.272   0.294  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.034  -1.431  -0.993  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        1.523   1.817  -0.745  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        5.224  -2.401  -0.509  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        6.375  -2.596   0.328  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        6.325  -4.068  -0.093  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        4.862  -3.790  -0.453  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.868   3.131  -1.310  0.00  0.00    +0.077 S 
ATOM     20  O   LIG    1       -3.324   3.086  -2.684  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.923   4.376  -0.572  0.00  0.00    -0.150 OA
BRANCH  19  30
ATOM     22  C   LIG    1       -6.952  -0.099  -0.772  0.00  0.00    +0.044 C 
ATOM     23  C   LIG    1       -5.692   0.477  -0.199  0.00  0.00    -0.048 A 
ATOM     24  C   LIG    1       -5.199   0.038   1.032  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1       -3.995   0.545   1.557  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1       -3.242   1.510   0.853  0.00  0.00    +0.098 A 
ATOM     27  N   LIG    1       -2.071   1.980   1.359  0.00  0.00    -0.253 NA
ATOM     28  C   LIG    1       -1.647   1.525   2.559  0.00  0.00    +0.111 A 
ATOM     29  C   LIG    1       -2.327   0.590   3.307  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -3.757   1.924  -0.376  0.00  0.00    +0.135 A 
ATOM     31  C   LIG    1       -3.517   0.093   2.795  0.00  0.00    +0.011 A 
ATOM     32  C   LIG    1       -4.953   1.419  -0.911  0.00  0.00    +0.034 A 
ENDBRANCH  19  30
ENDBRANCH   1  19
TORSDOF 4