REMARK  Name = BDB061014
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.647  -0.035  -0.270  0.00  0.00    +0.165 A 
ATOM      2  C   LIG    1        1.227  -1.335  -0.607  0.00  0.00    +0.136 A 
ATOM      3  N   LIG    1       -0.069  -1.726  -0.532  0.00  0.00    -0.236 NA
ATOM      4  C   LIG    1       -0.954  -0.796  -0.132  0.00  0.00    +0.091 A 
ATOM      5  C   LIG    1       -0.547   0.520   0.201  0.00  0.00    +0.091 A 
ATOM      6  C   LIG    1       -1.506   1.439   0.608  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -2.855   1.092   0.697  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -3.253  -0.198   0.372  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -2.299  -1.130  -0.039  0.00  0.00    +0.030 A 
ATOM     10  N   LIG    1        0.743   0.898   0.131  0.00  0.00    -0.227 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        3.013   0.350  -0.403  0.00  0.00    -0.265 N 
ATOM     12  H   LIG    1        3.615  -0.408  -0.069  0.00  0.00    +0.168 HD
BRANCH  11  13
ATOM     13  N   LIG    1        3.365   1.645   0.066  0.00  0.00    -0.255 NA
ATOM     14  H   LIG    1        2.932   2.335  -0.558  0.00  0.00    +0.140 HD
ATOM     15  H   LIG    1        2.886   1.815   0.959  0.00  0.00    +0.140 HD
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   2  16
ATOM     16  S   LIG    1        2.357  -2.606  -1.129  0.00  0.00    -0.120 S 
ATOM     17  H   LIG    1        1.391  -3.516  -1.315  0.00  0.00    +0.109 HD
ENDBRANCH   2  16
TORSDOF 3