REMARK  Name = BDB003125
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.144  -1.199  -0.265  0.00  0.00    +0.120 A 
ATOM      2  C   LIG    1        2.880  -1.038  -0.803  0.00  0.00    +0.115 A 
ATOM      3  C   LIG    1        1.942  -0.480   0.048  0.00  0.00    +0.121 A 
ATOM      4  N   LIG    1        2.230  -0.122   1.317  0.00  0.00    -0.207 NA
ATOM      5  C   LIG    1        3.478  -0.305   1.738  0.00  0.00    +0.215 A 
ATOM      6  N   LIG    1        4.445  -0.843   1.003  0.00  0.00    -0.207 NA
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1        3.780   0.063   3.026  0.00  0.00    -0.327 N 
ATOM      8  H   LIG    1        2.957   0.093   3.612  0.00  0.00    +0.145 HD
ATOM      9  H   LIG    1        4.585  -0.436   3.377  0.00  0.00    +0.145 HD
ENDBRANCH   5   7
BRANCH   1  11
ATOM     10  C   LIG    1        6.894  -1.637  -0.114  0.00  0.00    +0.091 C 
ATOM     11  S   LIG    1        5.484  -1.921  -1.218  0.00  0.00    -0.108 S 
ENDBRANCH   1  11
BRANCH   2  12
ATOM     12  C   LIG    1        2.560  -1.422  -2.140  0.00  0.00    +0.104 C 
ATOM     13  N   LIG    1        2.277  -1.730  -3.223  0.00  0.00    -0.191 NA
ENDBRANCH   2  12
BRANCH   3  14
ATOM     14  S   LIG    1        0.245  -0.200  -0.475  0.00  0.00    -0.095 S 
BRANCH  14  15
ATOM     15  C   LIG    1       -0.441   0.640   0.997  0.00  0.00    +0.172 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.905   1.050   0.854  0.00  0.00    +0.227 C 
ATOM     17  N   LIG    1       -2.553   0.571  -0.268  0.00  0.00    -0.285 N 
ATOM     18  H   LIG    1       -1.976   0.027  -0.902  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1       -2.420   1.742   1.732  0.00  0.00    -0.275 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -3.894   0.766  -0.651  0.00  0.00    +0.036 A 
ATOM     21  C   LIG    1       -4.823   1.494   0.092  0.00  0.00    +0.061 A 
ATOM     22  C   LIG    1       -6.129   1.628  -0.375  0.00  0.00    +0.125 A 
ATOM     23  F   LIG    1       -7.016   2.328   0.345  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -6.533   1.050  -1.572  0.00  0.00    +0.038 A 
ATOM     25  C   LIG    1       -5.614   0.322  -2.321  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -4.301   0.181  -1.861  0.00  0.00    +0.023 A 
ENDBRANCH  17  20
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   3  14
TORSDOF 7