REMARK  Name = LIG001368
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.769  -0.632   0.487  0.00  0.00    +0.091 A 
ATOM      2  C   LIG    1       -2.635  -1.419   0.161  0.00  0.00    +0.118 A 
ATOM      3  C   LIG    1       -2.015  -0.754  -0.878  0.00  0.00    +0.124 A 
ATOM      4  C   LIG    1       -0.853  -1.246  -1.449  0.00  0.00    +0.149 A 
ATOM      5  N   LIG    1       -0.397  -2.413  -0.946  0.00  0.00    -0.205 NA
ATOM      6  C   LIG    1       -1.056  -3.006   0.070  0.00  0.00    +0.188 A 
ATOM      7  N   LIG    1       -2.797   0.336  -1.123  0.00  0.00    -0.272 N 
ATOM      8  H   LIG    1       -2.667   1.040  -1.840  0.00  0.00    +0.189 HD
ATOM      9  N   LIG    1       -2.168  -2.572   0.679  0.00  0.00    -0.219 NA
ATOM     10  N   LIG    1       -3.860   0.450  -0.305  0.00  0.00    -0.176 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -4.807   0.205   2.613  0.00  0.00    +0.014 C 
ATOM     12  C   LIG    1       -4.787  -0.902   1.557  0.00  0.00    +0.035 C 
ATOM     13  C   LIG    1       -6.185  -1.112   0.970  0.00  0.00    +0.014 C 
ENDBRANCH   1  12
BRANCH   6  14
ATOM     14  S   LIG    1       -0.370  -4.518   0.689  0.00  0.00    -0.103 S 
ATOM     15  H   LIG    1       -1.339  -4.685   1.596  0.00  0.00    +0.110 HD
ENDBRANCH   6  14
BRANCH   4  16
ATOM     16  N   LIG    1       -0.205  -0.599  -2.495  0.00  0.00    -0.323 N 
ATOM     17  H   LIG    1       -0.334   0.404  -2.488  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1        1.175  -0.985  -2.763  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.127  -0.144  -1.943  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        2.548  -0.574  -0.679  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        3.405   0.215   0.095  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        3.860   1.454  -0.377  0.00  0.00    -0.000 A 
ATOM     23  C   LIG    1        3.427   1.887  -1.637  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1        2.569   1.099  -2.412  0.00  0.00    +0.006 A 
BRANCH  22  25
ATOM     25  C   LIG    1        4.757   2.286   0.420  0.00  0.00    +0.066 A 
ATOM     26  N   LIG    1        5.678   1.800   1.320  0.00  0.00    -0.344 N 
ATOM     27  H   LIG    1        5.850   0.827   1.527  0.00  0.00    +0.167 HD
ATOM     28  C   LIG    1        6.350   2.857   1.862  0.00  0.00    +0.196 A 
ATOM     29  N   LIG    1        5.926   3.997   1.373  0.00  0.00    -0.244 NA
ATOM     30  C   LIG    1        4.944   3.657   0.477  0.00  0.00    +0.138 A 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 6