REMARK  Name = BDB002421
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.899   0.046  -1.220  0.00  0.00    +0.269 A 
ATOM      2  N   LIG    1       -0.247   1.236  -1.379  0.00  0.00    -0.207 N 
ATOM      3  C   LIG    1        0.076   1.326  -2.707  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1        0.693   2.503  -3.356  0.00  0.00    +0.089 C 
ATOM      5  N   LIG    1       -0.249   0.187  -3.291  0.00  0.00    -0.131 NA
ATOM      6  N   LIG    1       -0.859  -0.621  -2.355  0.00  0.00    -0.107 NA
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -2.425   0.433   3.285  0.00  0.00    +0.067 C 
ATOM      8  C   LIG    1       -2.195  -0.196   1.962  0.00  0.00    +0.061 A 
ATOM      9  N   LIG    1       -1.541   0.469   1.003  0.00  0.00    -0.169 NA
ATOM     10  N   LIG    1       -1.512  -0.389  -0.057  0.00  0.00    -0.201 N 
ATOM     11  C   LIG    1       -2.141  -1.583   0.233  0.00  0.00    +0.045 A 
ATOM     12  C   LIG    1       -2.259  -2.706  -0.732  0.00  0.00    +0.066 C 
ATOM     13  C   LIG    1       -2.587  -1.479   1.533  0.00  0.00    +0.048 A 
ENDBRANCH   1  10
BRANCH   2  14
ATOM     14  N   LIG    1       -0.003   2.244  -0.361  0.00  0.00    -0.092 N 
ATOM     15  H   LIG    1       -0.675   2.167   0.416  0.00  0.00    +0.175 HD
BRANCH  14  16
ATOM     16  S   LIG    1        1.563   2.297   0.258  0.00  0.00    +0.076 S 
ATOM     17  O   LIG    1        1.478   2.961   1.541  0.00  0.00    -0.152 OA
ATOM     18  O   LIG    1        2.442   2.785  -0.782  0.00  0.00    -0.152 OA
BRANCH  16  19
ATOM     19  C   LIG    1        1.984   0.595   0.566  0.00  0.00    +0.107 A 
ATOM     20  C   LIG    1        2.667  -0.141  -0.410  0.00  0.00    +0.031 A 
ATOM     21  C   LIG    1        2.988  -1.476  -0.162  0.00  0.00    +0.040 A 
ATOM     22  C   LIG    1        2.644  -2.051   1.058  0.00  0.00    +0.124 A 
ATOM     23  F   LIG    1        2.952  -3.333   1.292  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1        1.990  -1.315   2.042  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1        1.663   0.019   1.801  0.00  0.00    +0.031 A 
ENDBRANCH  16  19
ENDBRANCH  14  16
ENDBRANCH   2  14
TORSDOF 4