REMARK  Name = LIG000801
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.029  -0.567   0.539  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -3.415  -1.713   0.053  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -3.877  -2.543  -0.706  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -2.068  -1.750   0.631  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -1.887  -0.592   1.386  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1       -0.688  -0.364   2.040  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        0.331  -1.328   1.931  0.00  0.00    -0.030 A 
ATOM      8  C   LIG    1        0.122  -2.494   1.154  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -1.089  -2.713   0.494  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -3.114   0.255   1.321  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -8.083   2.804  -0.932  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -7.311   1.877  -0.704  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -6.205   1.669  -1.487  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -6.048   2.382  -2.187  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -5.070   0.994  -1.097  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -3.982   1.269  -1.598  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -5.286  -0.074  -0.011  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -6.209   0.494   1.063  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -7.530   0.902   0.429  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  C   LIG    1        1.665  -1.111   2.604  0.00  0.00    +0.139 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.636  -0.600   1.664  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1        2.448   0.301   1.247  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        3.559  -1.422   1.068  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1        3.696  -2.611   1.327  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1        4.362  -0.783  -0.004  0.00  0.00    +0.052 C 
ATOM     26  C   LIG    1        4.693  -1.664  -1.171  0.00  0.00    +0.269 C 
ATOM     27  O   LIG    1        5.154  -0.985  -2.354  0.00  0.00    -0.487 OA
ATOM     28  C   LIG    1        5.761   0.227  -2.170  0.00  0.00    +0.131 A 
ATOM     29  C   LIG    1        5.631   0.981  -0.996  0.00  0.00    +0.017 A 
ATOM     30  C   LIG    1        6.264   2.227  -0.901  0.00  0.00    +0.014 A 
ATOM     31  C   LIG    1        7.015   2.711  -1.974  0.00  0.00    +0.039 A 
ATOM     32  C   LIG    1        7.122   1.954  -3.135  0.00  0.00    +0.127 A 
ATOM     33  F   LIG    1        7.838   2.427  -4.164  0.00  0.00    -0.205 F 
ATOM     34  C   LIG    1        6.498   0.718  -3.246  0.00  0.00    +0.084 A 
ATOM     35  C   LIG    1        4.817   0.473   0.101  0.00  0.00    +0.023 C 
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 4