REMARK  Name = LIG001014
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.804  -0.288   0.018  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -3.519  -1.437   0.743  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -4.299  -2.270   1.161  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -2.064  -1.471   0.925  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -1.516  -0.388   0.245  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1       -0.145  -0.184   0.248  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1        0.675  -1.085   0.951  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1        0.093  -2.174   1.632  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1       -1.292  -2.377   1.621  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -2.596   0.396  -0.423  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -7.778   1.564  -3.260  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -7.068   1.036  -2.410  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -6.342  -0.092  -2.696  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -6.381  -0.380  -3.665  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -5.213  -0.503  -2.024  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -4.357  -1.171  -2.601  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -5.122  -0.048  -0.558  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -5.539   1.417  -0.469  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -6.955   1.573  -1.002  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  N   LIG    1        2.061  -0.834   0.924  0.00  0.00    -0.279 N 
ATOM     21  H   LIG    1        2.365  -0.027   0.391  0.00  0.00    +0.155 HD
ATOM     22  C   LIG    1        3.068  -1.554   1.537  0.00  0.00    +0.287 C 
ATOM     23  O   LIG    1        2.942  -2.554   2.233  0.00  0.00    -0.266 OA
BRANCH  22  24
ATOM     24  C   LIG    1        4.420  -0.968   1.262  0.00  0.00    +0.225 C 
ATOM     25  O   LIG    1        4.509   0.170   0.466  0.00  0.00    -0.444 OA
ATOM     26  C   LIG    1        5.780   0.652   0.255  0.00  0.00    +0.171 A 
ATOM     27  C   LIG    1        6.902   0.031   0.812  0.00  0.00    +0.170 A 
ATOM     28  C   LIG    1        8.176   0.543   0.580  0.00  0.00    +0.050 A 
ATOM     29  C   LIG    1        8.325   1.683  -0.213  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        7.203   2.304  -0.770  0.00  0.00    +0.004 A 
ATOM     31  O   LIG    1        6.789  -1.092   1.597  0.00  0.00    -0.456 OA
ATOM     32  C   LIG    1        5.926   1.789  -0.536  0.00  0.00    +0.050 A 
ATOM     33  C   LIG    1        5.505  -1.552   1.789  0.00  0.00    +0.247 C 
ENDBRANCH  22  24
ENDBRANCH   7  20
TORSDOF 3