REMARK  Name = LIG001336
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.250   2.705   0.797  0.00  0.00    -0.214 N 
ATOM      2  H   LIG    1        0.537   3.274   0.005  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1       -4.093  -1.064   0.354  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -2.947  -0.088   0.410  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -1.992   0.055  -0.635  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -0.962   0.993  -0.489  0.00  0.00    +0.071 A 
ATOM      7  N   LIG    1       -0.173   0.914  -1.617  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1        0.664   1.460  -1.770  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1       -0.666  -0.024  -2.480  0.00  0.00    +0.102 A 
ATOM     10  C   LIG    1       -0.830   1.798   0.650  0.00  0.00    +0.072 A 
ATOM     11  C   LIG    1       -1.757   1.634   1.677  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -1.790  -0.575  -1.903  0.00  0.00    +0.077 A 
ATOM     13  C   LIG    1       -2.797   0.716   1.558  0.00  0.00    +0.006 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -2.576  -1.607  -2.505  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1       -3.209  -2.447  -2.995  0.00  0.00    -0.191 NA
ENDBRANCH  12  14
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  S   LIG    1        1.511   2.331   1.854  0.00  0.00    +0.072 S 
ATOM     17  O   LIG    1        0.986   2.133   3.186  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1        2.547   3.308   1.589  0.00  0.00    -0.150 OA
BRANCH  16  19
ATOM     19  C   LIG    1        2.087   0.764   1.240  0.00  0.00    +0.109 A 
ATOM     20  C   LIG    1        3.098   0.727   0.278  0.00  0.00    +0.030 A 
ATOM     21  C   LIG    1        3.539  -0.507  -0.207  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1        2.958  -1.700   0.236  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        2.002  -1.646   1.256  0.00  0.00    +0.024 A 
ATOM     24  C   LIG    1        1.554  -0.420   1.753  0.00  0.00    +0.030 A 
BRANCH  22  25
ATOM     25  N   LIG    1        3.484  -2.930  -0.167  0.00  0.00    -0.358 N 
ATOM     26  H   LIG    1        2.851  -3.715  -0.049  0.00  0.00    +0.142 HD
ATOM     27  H   LIG    1        3.925  -2.923  -1.081  0.00  0.00    +0.142 HD
ENDBRANCH  22  25
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5