REMARK  Name = LIG001798
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.400  -2.193   0.607  0.00  0.00    +0.021 A 
ATOM      2  C   LIG    1       -2.669  -0.795   0.113  0.00  0.00    +0.259 A 
ATOM      3  O   LIG    1       -3.819  -0.354   0.157  0.00  0.00    -0.267 OA
ATOM      4  N   LIG    1       -1.576  -0.080  -0.414  0.00  0.00    -0.278 N 
ATOM      5  C   LIG    1       -0.246  -0.536  -0.300  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1        0.921   0.368  -0.692  0.00  0.00    +0.165 C 
ATOM      7  N   LIG    1        2.238  -0.211  -0.457  0.00  0.00    -0.261 N 
ATOM      8  C   LIG    1        2.378  -1.149   0.646  0.00  0.00    +0.116 C 
ATOM      9  C   LIG    1        1.360  -2.275   0.529  0.00  0.00    +0.056 C 
ATOM     10  C   LIG    1        3.319   0.498  -0.957  0.00  0.00    +0.403 C 
ATOM     11  O   LIG    1        3.208   1.465  -1.703  0.00  0.00    -0.226 OA
ATOM     12  C   LIG    1       -0.024  -1.747   0.256  0.00  0.00    -0.024 A 
ATOM     13  C   LIG    1       -1.121  -2.591   0.665  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -1.798   1.182  -0.966  0.00  0.00    +0.066 A 
ATOM     15  C   LIG    1       -2.444   2.157  -0.298  0.00  0.00    +0.116 A 
ATOM     16  N   LIG    1       -2.696   3.401  -0.865  0.00  0.00    -0.303 N 
ATOM     17  C   LIG    1       -2.332   3.706  -2.174  0.00  0.00    +0.252 A 
ATOM     18  O   LIG    1       -2.487   4.805  -2.693  0.00  0.00    -0.268 OA
ATOM     19  C   LIG    1       -1.694   2.608  -2.941  0.00  0.00    +0.072 A 
ATOM     20  C   LIG    1       -1.458   1.424  -2.359  0.00  0.00    +0.033 A 
BRANCH  16  21
ATOM     21  C   LIG    1       -3.449   4.401  -0.094  0.00  0.00    +0.245 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.575   5.311   0.763  0.00  0.00    +0.325 C 
ATOM     23  O   LIG    1       -3.030   6.133   1.548  0.00  0.00    -0.249 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -1.242   5.144   0.600  0.00  0.00    -0.479 OA
ATOM     25  H   LIG    1       -1.050   4.494  -0.103  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  16  21
ENDBRANCH   4  14
BRANCH   1  26
ATOM     26  C   LIG    1       -3.619  -3.002   1.039  0.00  0.00    +0.021 C 
ATOM     27  C   LIG    1       -4.452  -3.425  -0.179  0.00  0.00    +0.012 C 
BRANCH  26  29
ATOM     28  C   LIG    1       -2.928  -5.507   1.308  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1       -3.346  -4.203   1.981  0.00  0.00    +0.005 C 
ENDBRANCH  26  29
ENDBRANCH   1  26
BRANCH  10  30
ATOM     30  O   LIG    1        4.513   0.007  -0.533  0.00  0.00    -0.448 OA
BRANCH  30  31
ATOM     31  C   LIG    1        5.676   0.742  -0.952  0.00  0.00    +0.262 C 
BRANCH  31  32
ATOM     32  C   LIG    1        5.889   1.979  -0.075  0.00  0.00    +0.200 C 
BRANCH  32  33
ATOM     33  O   LIG    1        6.067   1.643   1.306  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1        7.381   1.199   1.612  0.00  0.00    +0.194 C 
ENDBRANCH  32  33
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH  10  30
TORSDOF 10