REMARK  Name = BDB061916
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.631  -0.907  -0.286  0.00  0.00    +0.115 C 
ATOM      2  C   LIG    1       -1.482   0.310  -0.591  0.00  0.00    -0.016 A 
ATOM      3  C   LIG    1       -2.761   0.454  -0.079  0.00  0.00    -0.004 A 
ATOM      4  S   LIG    1       -3.537   1.879  -0.575  0.00  0.00    -0.101 S 
ATOM      5  C   LIG    1       -2.195   2.331  -1.535  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -3.404  -0.538   0.835  0.00  0.00    +0.058 C 
ATOM      7  C   LIG    1       -2.606  -1.857   0.789  0.00  0.00    +0.087 C 
ATOM      8  C   LIG    1       -1.175   1.405  -1.468  0.00  0.00    +0.013 A 
ATOM      9  N   LIG    1       -1.151  -1.644   0.886  0.00  0.00    -0.305 NA
ATOM     10  H   LIG    1       -0.959  -1.084   1.714  0.00  0.00    +0.123 HD
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        3.477   0.363   0.409  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1        2.436   0.927   1.146  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1        1.113   0.520   0.945  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1        0.792  -0.430  -0.041  0.00  0.00    -0.026 A 
ATOM     15  C   LIG    1        1.840  -0.954  -0.813  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1        3.161  -0.542  -0.605  0.00  0.00    +0.023 A 
BRANCH  11  17
ATOM     17  N   LIG    1        4.780   0.860   0.532  0.00  0.00    -0.358 N 
ATOM     18  H   LIG    1        4.984   1.244   1.449  0.00  0.00    +0.142 HD
ATOM     19  H   LIG    1        5.494   0.209   0.221  0.00  0.00    +0.142 HD
ENDBRANCH  11  17
ENDBRANCH   1  14
TORSDOF 2