REMARK  Name = BDB033489
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.228   0.517   0.005  0.00  0.00    -0.212 N 
ATOM      2  H   LIG    1        0.580   0.207  -0.903  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1       -4.262  -1.071  -0.302  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -3.535   0.151  -0.215  0.00  0.00    +0.022 A 
ATOM      5  C   LIG    1       -2.177  -0.180  -0.103  0.00  0.00    +0.071 A 
ATOM      6  C   LIG    1       -1.172   0.796   0.009  0.00  0.00    +0.075 A 
ATOM      7  C   LIG    1       -1.559   2.137  -0.041  0.00  0.00    +0.065 A 
ATOM      8  C   LIG    1       -2.900   2.479  -0.141  0.00  0.00    +0.126 A 
ATOM      9  F   LIG    1       -3.242   3.774  -0.171  0.00  0.00    -0.205 F 
ATOM     10  N   LIG    1       -2.105  -1.560  -0.120  0.00  0.00    -0.358 N 
ATOM     11  H   LIG    1       -1.244  -2.087  -0.001  0.00  0.00    +0.165 HD
ATOM     12  C   LIG    1       -3.900   1.513  -0.225  0.00  0.00    +0.049 A 
ATOM     13  C   LIG    1       -3.355  -2.105  -0.240  0.00  0.00    +0.102 A 
BRANCH   3  15
ATOM     14  N   LIG    1       -6.827  -1.350  -0.535  0.00  0.00    -0.191 NA
ATOM     15  C   LIG    1       -5.678  -1.228  -0.428  0.00  0.00    +0.101 C 
ENDBRANCH   3  15
ENDBRANCH   1   6
BRANCH   1  16
ATOM     16  S   LIG    1        0.819  -0.491   1.240  0.00  0.00    +0.096 S 
ATOM     17  O   LIG    1        0.463   0.080   2.521  0.00  0.00    -0.148 OA
ATOM     18  O   LIG    1        0.461  -1.850   0.875  0.00  0.00    -0.148 OA
BRANCH  16  19
ATOM     19  C   LIG    1        2.596  -0.434   1.131  0.00  0.00    +0.236 A 
ATOM     20  S   LIG    1        3.499  -1.062   2.434  0.00  0.00    -0.055 S 
ATOM     21  C   LIG    1        4.944  -0.680   1.591  0.00  0.00    +0.081 A 
ATOM     22  C   LIG    1        4.658  -0.110   0.358  0.00  0.00    +0.153 A 
ATOM     23  N   LIG    1        3.284   0.020   0.099  0.00  0.00    -0.216 NA
BRANCH  22  24
ATOM     24  C   LIG    1        5.677   0.348  -0.650  0.00  0.00    +0.435 C 
ATOM     25  F   LIG    1        5.432  -0.155  -1.887  0.00  0.00    -0.164 F 
ATOM     26  F   LIG    1        6.936  -0.042  -0.313  0.00  0.00    -0.164 F 
ATOM     27  F   LIG    1        5.704   1.700  -0.764  0.00  0.00    -0.164 F 
ENDBRANCH  22  24
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5