REMARK  Name = BDB002225
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.670   2.341   0.287  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1       -3.690   1.234   0.184  0.00  0.00    +0.107 A 
ATOM      3  N   LIG    1       -2.535   1.343  -0.549  0.00  0.00    -0.335 N 
ATOM      4  H   LIG    1       -2.240   2.148  -1.085  0.00  0.00    +0.168 HD
ATOM      5  C   LIG    1       -1.841   0.167  -0.436  0.00  0.00    +0.125 A 
ATOM      6  C   LIG    1       -2.640  -0.643   0.345  0.00  0.00    +0.247 A 
ATOM      7  N   LIG    1       -3.779   0.043   0.741  0.00  0.00    -0.209 NA
ENDROOT
BRANCH   6   8
ATOM      8  N   LIG    1       -2.442  -2.017   0.754  0.00  0.00    +0.078 N 
ATOM      9  O   LIG    1       -3.304  -2.527   1.483  0.00  0.00    -0.125 OA
ATOM     10  O   LIG    1       -1.417  -2.590   0.358  0.00  0.00    -0.125 OA
ENDBRANCH   6   8
BRANCH   5  11
ATOM     11  S   LIG    1       -0.334   0.038  -1.267  0.00  0.00    -0.099 S 
BRANCH  11  12
ATOM     12  C   LIG    1        0.833  -0.113   0.123  0.00  0.00    +0.111 C 
BRANCH  12  13
ATOM     13  C   LIG    1        2.237  -0.367  -0.366  0.00  0.00    -0.037 A 
ATOM     14  C   LIG    1        3.124   0.699  -0.588  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1        4.417   0.455  -1.053  0.00  0.00    +0.038 A 
ATOM     16  C   LIG    1        4.823  -0.851  -1.302  0.00  0.00    +0.123 A 
ATOM     17  F   LIG    1        6.064  -1.081  -1.749  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1        3.959  -1.919  -1.096  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1        2.666  -1.679  -0.631  0.00  0.00    +0.007 A 
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   5  11
TORSDOF 4