REMARK  Name = LIG001987
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.918   0.335  -0.030  0.00  0.00    -0.303 N 
ATOM      2  H   LIG    1        0.446  -0.238  -0.727  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        0.189   1.371   0.514  0.00  0.00    +0.218 C 
ATOM      4  O   LIG    1        0.476   1.886   1.592  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  11
ATOM      5  O   LIG    1        5.487  -0.136   1.037  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1        4.313  -0.396   0.831  0.00  0.00    +0.221 C 
ATOM      7  N   LIG    1        3.862  -1.545   0.270  0.00  0.00    -0.255 N 
ATOM      8  H   LIG    1        4.486  -2.228  -0.131  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1        2.536  -1.497  -0.003  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1        1.932  -2.254  -0.746  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1        1.939  -0.330   0.760  0.00  0.00    +0.168 C 
ATOM     12  C   LIG    1        3.157   0.528   1.087  0.00  0.00    +0.128 C 
ENDBRANCH   1  11
BRANCH   3  13
ATOM     13  C   LIG    1       -0.964   1.860  -0.345  0.00  0.00    +0.130 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -2.018   0.806  -0.577  0.00  0.00    -0.039 A 
ATOM     15  C   LIG    1       -2.791   0.333   0.494  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -3.756  -0.654   0.287  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -3.958  -1.175  -0.989  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -3.199  -0.709  -2.060  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -2.234   0.278  -1.857  0.00  0.00    +0.004 A 
ENDBRANCH  13  14
ENDBRANCH   3  13
TORSDOF 3