REMARK  Name = LIG000097
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.478  -1.140   0.521  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1        0.977   0.124   0.134  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1        2.347   0.333   0.091  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1        3.113   1.550  -0.304  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1        4.492   1.159  -0.047  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        4.596  -0.186   0.277  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1        5.601  -0.855   0.414  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        3.226  -0.694   0.418  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1        2.795  -1.950   0.788  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        1.413  -2.164   0.836  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1       -3.404  -4.101  -0.034  0.00  0.00    +0.260 A 
ATOM     12  C   LIG    1       -2.664  -2.934   0.270  0.00  0.00    +0.152 A 
ATOM     13  C   LIG    1       -3.620  -2.004   0.653  0.00  0.00    +0.092 A 
ATOM     14  C   LIG    1       -3.278  -0.704   1.039  0.00  0.00    -0.004 A 
ATOM     15  C   LIG    1       -1.897  -0.441   0.995  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1       -0.977  -1.414   0.588  0.00  0.00    +0.072 A 
ATOM     17  N   LIG    1       -4.817  -2.662   0.544  0.00  0.00    -0.272 N 
ATOM     18  H   LIG    1       -5.742  -2.296   0.737  0.00  0.00    +0.189 HD
ATOM     19  N   LIG    1       -1.337  -2.669   0.235  0.00  0.00    -0.240 NA
ATOM     20  N   LIG    1       -4.721  -3.940   0.133  0.00  0.00    -0.133 NA
BRANCH  11  22
ATOM     21  C   LIG    1       -3.861  -6.291  -0.700  0.00  0.00    +0.279 C 
ATOM     22  O   LIG    1       -2.891  -5.282  -0.451  0.00  0.00    -0.477 OA
ENDBRANCH  11  22
BRANCH  14  23
ATOM     23  C   LIG    1       -4.257   0.358   1.477  0.00  0.00    +0.121 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -4.199   1.559   0.629  0.00  0.00    -0.298 NA
ATOM     25  C   LIG    1       -5.029   2.641   1.182  0.00  0.00    +0.085 C 
ATOM     26  C   LIG    1       -6.441   2.389   0.673  0.00  0.00    +0.017 C 
ATOM     27  C   LIG    1       -6.265   1.534  -0.574  0.00  0.00    +0.017 C 
ATOM     28  C   LIG    1       -4.762   1.340  -0.713  0.00  0.00    +0.085 C 
ENDBRANCH  23  24
ENDBRANCH  14  23
ENDBRANCH   1  16
BRANCH   5  29
ATOM     29  C   LIG    1        5.610   1.986  -0.491  0.00  0.00    +0.163 C 
ATOM     30  C   LIG    1        6.014   1.650  -1.935  0.00  0.00    +0.240 C 
ATOM     31  O   LIG    1        5.218   1.268  -2.791  0.00  0.00    -0.273 OA
ATOM     32  N   LIG    1        7.321   1.920  -2.274  0.00  0.00    -0.255 N 
ATOM     33  H   LIG    1        7.574   1.733  -3.234  0.00  0.00    +0.158 HD
ATOM     34  C   LIG    1        8.279   2.534  -1.508  0.00  0.00    +0.219 C 
ATOM     35  O   LIG    1        9.360   2.862  -1.991  0.00  0.00    -0.275 OA
ATOM     36  C   LIG    1        7.900   2.868  -0.085  0.00  0.00    +0.098 C 
ATOM     37  C   LIG    1        6.825   1.927   0.435  0.00  0.00    +0.041 C 
ENDBRANCH   5  29
TORSDOF 5