REMARK  Name = LIG001971
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.818   0.326  -0.131  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -3.436   0.751   1.133  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -4.139   0.987   2.097  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.973   0.859   1.122  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -1.516   0.414  -0.116  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1       -0.160   0.402  -0.396  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        0.736   0.856   0.591  0.00  0.00    -0.030 A 
ATOM      8  C   LIG    1        0.245   1.288   1.846  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -1.125   1.294   2.120  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -2.668  -0.025  -0.955  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -9.005  -1.510   0.157  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -7.870  -1.058   0.034  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -6.770  -1.821   0.333  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -6.957  -2.750   0.685  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -5.446  -1.520   0.111  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -4.577  -2.375   0.279  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -5.162  -0.127  -0.474  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -6.263   0.856  -0.078  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -7.609   0.316  -0.536  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  C   LIG    1        2.219   0.833   0.328  0.00  0.00    +0.141 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.772  -0.478   0.567  0.00  0.00    -0.295 N 
ATOM     22  H   LIG    1        2.157  -1.199   0.926  0.00  0.00    +0.151 HD
ATOM     23  C   LIG    1        4.043  -0.930   0.370  0.00  0.00    +0.304 C 
ATOM     24  N   LIG    1        4.937  -0.004  -0.093  0.00  0.00    -0.269 N 
ATOM     25  H   LIG    1        4.607   0.943  -0.170  0.00  0.00    +0.156 HD
ATOM     26  O   LIG    1        4.270  -2.110   0.617  0.00  0.00    -0.252 OA
BRANCH  24  27
ATOM     27  C   LIG    1        6.296  -0.201  -0.418  0.00  0.00    +0.035 A 
ATOM     28  C   LIG    1        6.943  -1.436  -0.363  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1        8.295  -1.545  -0.706  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        9.011  -0.420  -1.108  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        8.376   0.816  -1.168  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        7.025   0.925  -0.826  0.00  0.00    +0.023 A 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 4