REMARK  Name = LIG001050
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.086   1.833  -0.498  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1       -1.194   1.951   0.054  0.00  0.00    +0.030 A 
ATOM      3  C   LIG    1       -2.106   0.941  -0.201  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1       -3.522   0.800   0.247  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1       -3.897  -0.503  -0.290  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -2.900  -1.047  -1.086  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1       -2.941  -2.066  -1.748  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -1.744  -0.151  -0.989  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -0.486  -0.287  -1.546  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        0.442   0.723  -1.287  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -5.271  -0.988  -0.335  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -6.142  -0.174  -1.307  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -5.707   0.643  -2.115  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -7.496  -0.408  -1.216  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -8.063   0.144  -1.847  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -8.156  -0.857  -0.102  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -9.363  -0.677   0.035  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -7.327  -1.594   0.924  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -5.934  -0.994   1.039  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  N   LIG    1        1.065   2.823  -0.220  0.00  0.00    -0.216 N 
ATOM     21  H   LIG    1        0.811   3.799  -0.369  0.00  0.00    +0.174 HD
BRANCH  20  22
ATOM     22  S   LIG    1        1.983   2.650   1.192  0.00  0.00    +0.072 S 
ATOM     23  O   LIG    1        2.652   3.920   1.387  0.00  0.00    -0.150 OA
ATOM     24  O   LIG    1        1.155   2.079   2.232  0.00  0.00    -0.150 OA
BRANCH  22  28
ATOM     25  C   LIG    1        5.165  -0.389  -0.035  0.00  0.00    -0.047 A 
ATOM     26  C   LIG    1        5.271   0.952  -0.435  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        4.300   1.881  -0.061  0.00  0.00    +0.029 A 
ATOM     28  C   LIG    1        3.212   1.466   0.710  0.00  0.00    +0.109 A 
ATOM     29  C   LIG    1        3.099   0.138   1.129  0.00  0.00    +0.029 A 
ATOM     30  C   LIG    1        4.073  -0.786   0.750  0.00  0.00    +0.005 A 
BRANCH  25  31
ATOM     31  C   LIG    1        6.223  -1.390  -0.435  0.00  0.00    +0.035 C 
BRANCH  31  33
ATOM     32  C   LIG    1        7.431  -1.566   1.803  0.00  0.00    +0.004 C 
ATOM     33  C   LIG    1        7.544  -1.228   0.324  0.00  0.00    +0.001 C 
ENDBRANCH  31  33
ENDBRANCH  25  31
ENDBRANCH  22  28
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 6