REMARK  Name = LIG000966
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.412  -1.225   1.453  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1        0.111  -1.633   1.141  0.00  0.00    +0.030 A 
ATOM      3  C   LIG    1       -0.859  -0.654   1.003  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1       -2.300  -0.784   0.640  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1       -2.778   0.590   0.737  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -1.744   1.487   0.965  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1       -1.796   2.701   0.993  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -0.531   0.691   1.176  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1        0.748   1.116   1.481  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        1.733   0.135   1.619  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -4.074   1.027   0.231  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -4.149   0.963  -1.304  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -3.181   0.795  -2.041  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -5.411   1.103  -1.836  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -5.454   1.044  -2.845  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -6.590   0.822  -1.195  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -7.623   0.621  -1.826  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -6.548   0.795   0.316  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -5.231   0.224   0.819  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  N   LIG    1        2.449  -2.188   1.572  0.00  0.00    -0.216 N 
ATOM     21  H   LIG    1        2.322  -2.950   2.237  0.00  0.00    +0.174 HD
BRANCH  20  22
ATOM     22  S   LIG    1        3.188  -2.738   0.153  0.00  0.00    +0.072 S 
ATOM     23  O   LIG    1        2.188  -2.878  -0.883  0.00  0.00    -0.150 OA
ATOM     24  O   LIG    1        4.008  -3.865   0.547  0.00  0.00    -0.150 OA
BRANCH  22  28
ATOM     25  C   LIG    1        4.308   1.629  -2.556  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1        4.737   0.593  -1.560  0.00  0.00    -0.049 A 
ATOM     27  C   LIG    1        3.880  -0.462  -1.223  0.00  0.00    +0.032 A 
ATOM     28  C   LIG    1        4.274  -1.399  -0.261  0.00  0.00    +0.109 A 
ATOM     29  C   LIG    1        5.522  -1.308   0.358  0.00  0.00    +0.029 A 
ATOM     30  C   LIG    1        6.372  -0.253   0.032  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        5.978   0.696  -0.915  0.00  0.00    +0.003 A 
ENDBRANCH  22  28
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 4