REMARK  Name = LIG000325
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.150  -1.587  -0.366  0.00  0.00    -0.299 N 
ATOM      2  H   LIG    1       -0.498  -1.473   0.409  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1        0.952  -0.523  -0.722  0.00  0.00    +0.253 C 
ATOM      4  O   LIG    1        1.885  -0.709  -1.503  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.628   0.766  -0.124  0.00  0.00    +0.093 A 
ATOM      6  C   LIG    1       -0.401   1.173   0.706  0.00  0.00    +0.068 A 
ATOM      7 CL   LIG    1       -1.679   0.179   1.297  0.00  0.00    -0.082 Cl
ATOM      8  C   LIG    1       -0.333   2.570   1.066  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1        0.771   3.187   0.477  0.00  0.00    +0.021 A 
ATOM     10  C   LIG    1        1.055   4.553   0.677  0.00  0.00    +0.016 A 
ATOM     11  C   LIG    1        0.208   5.311   1.486  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -0.897   4.728   2.086  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -1.174   3.372   1.884  0.00  0.00    +0.010 A 
ATOM     14  S   LIG    1        1.674   2.082  -0.474  0.00  0.00    -0.082 S 
ENDBRANCH   3   5
BRANCH   1  21
ATOM     15  O   LIG    1       -0.591  -5.196  -3.309  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -0.346  -4.556  -2.299  0.00  0.00    +0.221 C 
ATOM     17  N   LIG    1       -0.725  -4.913  -1.046  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1       -1.349  -5.686  -0.874  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -0.480  -3.937  -0.140  0.00  0.00    +0.240 C 
ATOM     20  O   LIG    1       -0.964  -3.861   0.979  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1        0.481  -2.943  -0.763  0.00  0.00    +0.168 C 
ATOM     22  C   LIG    1        0.347  -3.225  -2.256  0.00  0.00    +0.128 C 
ENDBRANCH   1  21
TORSDOF 2