REMARK  Name = LIG001319
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        5.041  -0.120   0.640  0.00  0.00    -0.281 N 
ATOM      2  C   LIG    1        4.816  -1.488   0.655  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        5.633  -2.388   0.660  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        3.362  -1.680   0.646  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        2.759  -0.428   0.539  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1        1.381  -0.305   0.503  0.00  0.00    +0.126 A 
ATOM      7  C   LIG    1        0.626  -1.482   0.578  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        1.250  -2.744   0.683  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1        2.639  -2.853   0.718  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        3.805   0.631   0.454  0.00  0.00    +0.148 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       10.308   0.766  -0.709  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        9.144   0.613  -0.350  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        8.142   0.416  -1.266  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        8.428   0.374  -2.234  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        6.784   0.382  -1.041  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        6.000   0.367  -1.989  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        6.343   0.500   0.427  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        7.433  -0.028   1.359  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        8.728   0.725   1.098  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   6  20
ATOM     20  O   LIG    1        0.904   0.967   0.388  0.00  0.00    -0.492 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -0.512   1.170   0.396  0.00  0.00    +0.229 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -1.081   1.035  -1.018  0.00  0.00    +0.050 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.572   1.368  -1.094  0.00  0.00    +0.099 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.471   0.309  -0.453  0.00  0.00    +0.220 C 
ATOM     25  N   LIG    1       -4.860   0.566  -0.496  0.00  0.00    -0.271 N 
ATOM     26  C   LIG    1       -5.827  -0.321   0.118  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1       -7.195  -0.239  -0.228  0.00  0.00    -0.026 A 
ATOM     28  C   LIG    1       -8.133  -1.125   0.335  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -7.742  -2.069   1.276  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.412  -2.133   1.662  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -7.690   0.766  -1.229  0.00  0.00    +0.038 C 
ATOM     32  C   LIG    1       -6.823   2.002  -1.162  0.00  0.00    +0.024 C 
ATOM     33  C   LIG    1       -5.470  -1.267   1.093  0.00  0.00    +0.024 A 
ATOM     34  C   LIG    1       -5.378   1.605  -1.399  0.00  0.00    +0.114 C 
ATOM     35  O   LIG    1       -2.946  -0.687   0.047  0.00  0.00    -0.275 OA
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 6