REMARK  Name = LIG000318
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.219  -2.075   0.983  0.00  0.00    -0.124 S 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        3.892   0.585   0.236  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        3.209   0.628   1.453  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        2.086  -0.175   1.673  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1        1.651  -1.060   0.685  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        2.370  -1.159  -0.507  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        3.493  -0.352  -0.720  0.00  0.00    +0.024 A 
BRANCH   2   8
ATOM      8  N   LIG    1        5.081   1.301   0.068  0.00  0.00    -0.358 N 
ATOM      9  H   LIG    1        5.335   1.464  -0.901  0.00  0.00    +0.142 HD
ATOM     10  H   LIG    1        5.138   2.144   0.631  0.00  0.00    +0.142 HD
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  11
ATOM     11  C   LIG    1       -0.960  -1.325  -0.197  0.00  0.00    +0.087 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -1.361   0.118   0.144  0.00  0.00    +0.086 C 
ATOM     13  C   LIG    1       -2.146   0.184   1.440  0.00  0.00    +0.223 C 
ATOM     14  O   LIG    1       -1.647   0.549   2.501  0.00  0.00    -0.275 OA
ATOM     15  N   LIG    1       -3.469  -0.170   1.368  0.00  0.00    -0.256 N 
ATOM     16  H   LIG    1       -3.963  -0.102   2.249  0.00  0.00    +0.157 HD
ATOM     17  C   LIG    1       -4.272   0.023   0.274  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -5.490   0.121   0.389  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -3.582   0.083  -1.068  0.00  0.00    +0.097 C 
ATOM     20  C   LIG    1       -2.218   0.750  -0.959  0.00  0.00    +0.023 C 
ENDBRANCH  11  12
ENDBRANCH   1  11
TORSDOF 4