REMARK  Name = BDB061234
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.219   0.508   1.005  0.00  0.00    +0.092 A 
ATOM      2  N   LIG    1        1.474   1.118   1.965  0.00  0.00    -0.271 N 
ATOM      3  H   LIG    1        1.810   1.615   2.781  0.00  0.00    +0.190 HD
ATOM      4  N   LIG    1        0.151   1.021   1.762  0.00  0.00    -0.173 NA
ATOM      5  C   LIG    1        0.032   0.318   0.621  0.00  0.00    +0.094 A 
ATOM      6  C   LIG    1        1.322  -0.023   0.115  0.00  0.00    +0.064 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.285  -0.005   0.054  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -2.460   0.421   0.701  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -3.720   0.122   0.174  0.00  0.00    +0.039 A 
ATOM     10  C   LIG    1       -3.812  -0.605  -1.004  0.00  0.00    +0.123 A 
ATOM     11  F   LIG    1       -5.017  -0.893  -1.512  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -2.669  -1.038  -1.665  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1       -1.408  -0.739  -1.138  0.00  0.00    +0.013 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     14  C   LIG    1        4.458  -0.370  -0.336  0.00  0.00    +0.091 C 
ATOM     15  S   LIG    1        3.940   0.548   1.130  0.00  0.00    -0.110 S 
ENDBRANCH   1  15
TORSDOF 2