REMARK  Name = LIG001680
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.662   0.282   0.117  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -3.381  -0.350  -1.086  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -4.158  -0.747  -1.932  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.922  -0.484  -1.162  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -1.380  -0.011   0.027  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1       -0.007  -0.031   0.231  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1        0.832  -0.505  -0.792  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.239  -1.016  -1.973  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1       -1.145  -0.999  -2.176  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -2.471   0.429   0.943  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -9.014  -0.409   1.232  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -7.832  -0.182   0.992  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -6.859  -1.098   1.305  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -7.182  -1.966   1.710  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -5.494  -0.933   1.251  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -4.747  -1.782   1.736  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -5.000   0.408   0.687  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -6.027   0.996  -0.280  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -7.363   1.140   0.431  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  N   LIG    1        2.218  -0.632  -0.651  0.00  0.00    -0.337 N 
ATOM     21  H   LIG    1        2.692  -0.621  -1.552  0.00  0.00    +0.147 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.930   0.185   0.331  0.00  0.00    +0.176 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.411   0.026   0.254  0.00  0.00    +0.123 A 
ATOM     24  O   LIG    1        5.129   1.123  -0.125  0.00  0.00    -0.458 OA
ATOM     25  C   LIG    1        6.441   0.757  -0.135  0.00  0.00    +0.135 A 
ATOM     26  C   LIG    1        6.574  -0.576   0.234  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        7.863  -1.135   0.278  0.00  0.00    +0.011 A 
ATOM     28  C   LIG    1        8.960  -0.325  -0.051  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        8.783   1.012  -0.416  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        7.509   1.587  -0.467  0.00  0.00    +0.047 A 
ATOM     31  C   LIG    1        5.256  -1.041   0.482  0.00  0.00    +0.054 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   7  20
TORSDOF 4