REMARK  Name = LIG000993
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.962   0.444  -0.350  0.00  0.00    +0.033 A 
ATOM      2  C   LIG    1       -0.183   0.535   0.470  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -1.370  -0.051   0.056  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1       -2.700  -0.091   0.733  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1       -3.502  -0.878  -0.195  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -2.798  -1.222  -1.339  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1       -3.216  -1.793  -2.328  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -1.432  -0.720  -1.161  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -0.346  -0.822  -2.003  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        0.852  -0.228  -1.588  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -4.951  -1.032  -0.099  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -5.495  -1.213   1.328  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -4.811  -1.532   2.298  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -6.850  -1.022   1.478  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -7.201  -1.134   2.420  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -7.686  -0.349   0.623  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -8.804   0.006   0.983  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -7.167  -0.103  -0.772  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -5.668   0.144  -0.765  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  N   LIG    1        2.140   1.081   0.092  0.00  0.00    -0.300 N 
ATOM     21  H   LIG    1        2.122   1.329   1.071  0.00  0.00    +0.153 HD
BRANCH  20  30
ATOM     22  C   LIG    1        7.472  -1.311   0.952  0.00  0.00    +0.043 C 
ATOM     23  C   LIG    1        6.559  -0.158   0.656  0.00  0.00    -0.051 C 
ATOM     24  C   LIG    1        5.698   0.294   1.732  0.00  0.00    -0.000 C 
ATOM     25  C   LIG    1        4.740   1.212   1.533  0.00  0.00    -0.012 C 
ATOM     26  C   LIG    1        4.510   1.854   0.188  0.00  0.00    +0.126 C 
ATOM     27  C   LIG    1        5.609   1.612  -0.840  0.00  0.00    +0.242 C 
ATOM     28  O   LIG    1        4.938   1.369  -2.080  0.00  0.00    -0.384 OA
ATOM     29  N   LIG    1        3.594   1.024  -1.817  0.00  0.00    -0.072 NA
ATOM     30  C   LIG    1        3.338   1.257  -0.568  0.00  0.00    +0.149 C 
ATOM     31  C   LIG    1        6.527   0.456  -0.540  0.00  0.00    +0.024 C 
ENDBRANCH  20  30
ENDBRANCH   1  20
TORSDOF 3