REMARK  Name = BDB033475
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.209  -0.550   0.186  0.00  0.00    -0.212 N 
ATOM      2  H   LIG    1        0.614  -0.406   1.113  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1       -4.184   1.120   1.007  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -3.514  -0.096   0.683  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1       -2.154   0.206   0.543  0.00  0.00    +0.070 A 
ATOM      6  C   LIG    1       -1.201  -0.773   0.217  0.00  0.00    +0.072 A 
ATOM      7  C   LIG    1       -1.645  -2.092   0.077  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1       -2.993  -2.417   0.200  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -2.022   1.560   0.776  0.00  0.00    -0.358 N 
ATOM     10  H   LIG    1       -1.147   2.071   0.691  0.00  0.00    +0.165 HD
ATOM     11  C   LIG    1       -3.936  -1.430   0.499  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -3.240   2.121   1.057  0.00  0.00    +0.102 A 
BRANCH   3  14
ATOM     13  N   LIG    1       -6.719   1.438   1.436  0.00  0.00    -0.191 NA
ATOM     14  C   LIG    1       -5.583   1.298   1.242  0.00  0.00    +0.101 C 
ENDBRANCH   3  14
ENDBRANCH   1   6
BRANCH   1  15
ATOM     15  S   LIG    1        0.781   0.626  -0.898  0.00  0.00    +0.096 S 
ATOM     16  O   LIG    1        0.351   0.286  -2.236  0.00  0.00    -0.148 OA
ATOM     17  O   LIG    1        0.500   1.920  -0.302  0.00  0.00    -0.148 OA
BRANCH  15  18
ATOM     18  C   LIG    1        2.559   0.493  -0.890  0.00  0.00    +0.236 A 
ATOM     19  S   LIG    1        3.428   1.303  -2.113  0.00  0.00    -0.055 S 
ATOM     20  C   LIG    1        4.892   0.737  -1.421  0.00  0.00    +0.081 A 
ATOM     21  C   LIG    1        4.639  -0.024  -0.288  0.00  0.00    +0.153 A 
ATOM     22  N   LIG    1        3.275  -0.151   0.015  0.00  0.00    -0.216 NA
BRANCH  21  23
ATOM     23  C   LIG    1        5.683  -0.679   0.575  0.00  0.00    +0.435 C 
ATOM     24  F   LIG    1        6.940  -0.288   0.237  0.00  0.00    -0.164 F 
ATOM     25  F   LIG    1        5.652  -2.032   0.468  0.00  0.00    -0.164 F 
ATOM     26  F   LIG    1        5.521  -0.378   1.889  0.00  0.00    -0.164 F 
ENDBRANCH  21  23
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 5