REMARK  Name = LIG001270
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.526  -1.129  -1.797  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1       -0.826  -1.463  -1.660  0.00  0.00    +0.030 A 
ATOM      3  C   LIG    1       -1.713  -0.453  -1.328  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1       -3.184  -0.518  -1.086  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1       -3.531   0.881  -0.863  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -2.408   1.694  -0.804  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1       -2.353   2.878  -0.536  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -1.256   0.851  -1.141  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1        0.075   1.202  -1.262  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        0.977   0.188  -1.594  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -4.821   1.315  -0.341  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -5.036   0.880   1.118  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -4.157   0.420   1.843  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -6.320   1.027   1.592  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -6.456   0.722   2.547  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -7.459   1.038   0.828  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -8.556   0.795   1.321  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -7.289   1.384  -0.633  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -5.990   0.816  -1.185  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  N   LIG    1        1.476  -2.139  -2.109  0.00  0.00    -0.216 N 
ATOM     21  H   LIG    1        1.299  -2.717  -2.930  0.00  0.00    +0.174 HD
BRANCH  20  22
ATOM     22  S   LIG    1        2.084  -3.075  -0.838  0.00  0.00    +0.072 S 
ATOM     23  O   LIG    1        1.037  -3.308   0.133  0.00  0.00    -0.150 OA
ATOM     24  O   LIG    1        2.776  -4.183  -1.464  0.00  0.00    -0.150 OA
BRANCH  22  28
ATOM     25  C   LIG    1        5.269  -0.362   1.015  0.00  0.00    +0.033 A 
ATOM     26  C   LIG    1        3.993  -0.442   1.579  0.00  0.00    +0.025 A 
ATOM     27  C   LIG    1        3.015  -1.270   1.015  0.00  0.00    +0.030 A 
ATOM     28  C   LIG    1        3.313  -2.012  -0.128  0.00  0.00    +0.109 A 
ATOM     29  C   LIG    1        4.587  -1.955  -0.696  0.00  0.00    +0.030 A 
ATOM     30  C   LIG    1        5.558  -1.129  -0.124  0.00  0.00    +0.025 A 
BRANCH  25  33
ATOM     31  C   LIG    1        7.573   1.988   2.862  0.00  0.00    +0.109 C 
ATOM     32  C   LIG    1        6.255   1.297   2.612  0.00  0.00    +0.214 C 
ATOM     33  N   LIG    1        6.308   0.443   1.525  0.00  0.00    -0.286 N 
ATOM     34  H   LIG    1        7.190   0.396   1.030  0.00  0.00    +0.155 HD
ATOM     35  O   LIG    1        5.280   1.536   3.315  0.00  0.00    -0.276 OA
ENDBRANCH  25  33
ENDBRANCH  22  28
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 5