REMARK  Name = LIG001201
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.968  -4.142  -0.997  0.00  0.00    +0.091 A 
ATOM      2  C   LIG    1       -1.983  -2.793  -0.556  0.00  0.00    +0.118 A 
ATOM      3  C   LIG    1       -0.665  -2.388  -0.575  0.00  0.00    +0.124 A 
ATOM      4  C   LIG    1       -0.308  -1.108  -0.189  0.00  0.00    +0.149 A 
ATOM      5  N   LIG    1       -1.322  -0.291   0.170  0.00  0.00    -0.205 NA
ATOM      6  C   LIG    1       -2.591  -0.751   0.156  0.00  0.00    +0.191 A 
ATOM      7  N   LIG    1        0.035  -3.459  -1.042  0.00  0.00    -0.272 N 
ATOM      8  H   LIG    1        1.030  -3.515  -1.226  0.00  0.00    +0.189 HD
ATOM      9  N   LIG    1       -2.992  -1.985  -0.178  0.00  0.00    -0.218 NA
ATOM     10  N   LIG    1       -0.719  -4.548  -1.284  0.00  0.00    -0.176 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -4.118  -4.588  -2.214  0.00  0.00    +0.014 C 
ATOM     12  C   LIG    1       -3.124  -5.086  -1.163  0.00  0.00    +0.035 C 
ATOM     13  C   LIG    1       -3.833  -5.357   0.165  0.00  0.00    +0.014 C 
ENDBRANCH   1  12
BRANCH   4  14
ATOM     14  N   LIG    1        1.010  -0.671  -0.182  0.00  0.00    -0.323 N 
ATOM     15  H   LIG    1        1.679  -1.398   0.041  0.00  0.00    +0.148 HD
BRANCH  14  16
ATOM     16  C   LIG    1        1.255   0.573   0.532  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.741   0.850   0.534  0.00  0.00    -0.030 A 
ATOM     18  C   LIG    1        3.385   1.252  -0.644  0.00  0.00    +0.007 A 
ATOM     19  C   LIG    1        4.761   1.494  -0.654  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1        5.519   1.335   0.515  0.00  0.00    +0.065 A 
ATOM     21  C   LIG    1        4.880   0.928   1.694  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1        3.502   0.685   1.699  0.00  0.00    +0.007 A 
BRANCH  20  23
ATOM     23  N   LIG    1        6.919   1.588   0.481  0.00  0.00    -0.240 N 
ATOM     24  N   LIG    1        7.532   1.974  -0.670  0.00  0.00    -0.175 NA
ATOM     25  C   LIG    1        8.816   2.119  -0.343  0.00  0.00    +0.135 A 
ATOM     26  C   LIG    1        9.061   1.834   1.007  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1        7.829   1.495   1.515  0.00  0.00    +0.114 A 
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH   4  14
BRANCH   6  28
ATOM     28  S   LIG    1       -3.881   0.368   0.660  0.00  0.00    -0.084 S 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.103   1.962   0.201  0.00  0.00    +0.098 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -4.042   3.190   0.363  0.00  0.00    +0.020 C 
ATOM     31  C   LIG    1       -5.217   3.139  -0.627  0.00  0.00    +0.028 C 
ATOM     32  C   LIG    1       -3.229   4.470   0.105  0.00  0.00    +0.028 C 
BRANCH  30  33
ATOM     33  N   LIG    1       -4.594   3.284   1.727  0.00  0.00    -0.324 NA
ATOM     34  H   LIG    1       -3.834   3.297   2.407  0.00  0.00    +0.119 HD
ATOM     35  H   LIG    1       -5.114   2.426   1.925  0.00  0.00    +0.119 HD
ENDBRANCH  30  33
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   6  28
TORSDOF 9