REMARK  Name = BDB060842
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.726   0.077   0.548  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1        2.691   0.152  -0.427  0.00  0.00    -0.316 N 
ATOM      3  H   LIG    1        2.557   0.168  -1.424  0.00  0.00    +0.169 HD
ATOM      4  C   LIG    1        3.883   0.197   0.219  0.00  0.00    +0.186 A 
ATOM      5  N   LIG    1        3.701   0.153   1.512  0.00  0.00    -0.123 NA
ATOM      6  N   LIG    1        2.340   0.076   1.722  0.00  0.00    -0.129 NA
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -4.007  -0.191  -0.242  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -2.519  -0.149  -0.051  0.00  0.00    -0.050 A 
ATOM      9  C   LIG    1       -1.969  -0.179   1.233  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -0.584  -0.107   1.410  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        0.283   0.006   0.314  0.00  0.00    +0.019 A 
ATOM     12  C   LIG    1       -0.278   0.051  -0.971  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -1.665  -0.020  -1.150  0.00  0.00    +0.004 A 
ENDBRANCH   1  11
BRANCH   4  14
ATOM     14  S   LIG    1        5.366   0.296  -0.634  0.00  0.00    -0.104 S 
ATOM     15  H   LIG    1        6.164   0.309   0.444  0.00  0.00    +0.110 HD
ENDBRANCH   4  14
TORSDOF 2