REMARK  Name = LIG001230
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.080   0.506  -0.606  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -2.348   1.682  -0.481  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -2.745   2.796  -0.205  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -0.949   1.350  -0.768  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -0.894   0.020  -1.168  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1        0.318  -0.555  -1.513  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1        1.488   0.218  -1.418  0.00  0.00    +0.033 A 
ATOM      8  C   LIG    1        1.397   1.579  -1.047  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        0.170   2.156  -0.706  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -2.267  -0.562  -1.185  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -5.543  -2.008   2.507  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -5.372  -1.209   1.591  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -5.537  -1.594   0.285  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -5.812  -2.557   0.148  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -5.109  -0.929  -0.840  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -5.054  -1.517  -1.919  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -4.548   0.489  -0.636  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -5.194   1.086   0.621  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -4.908   0.207   1.829  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  N   LIG    1        2.706  -0.363  -1.838  0.00  0.00    -0.300 N 
ATOM     21  H   LIG    1        2.758  -0.373  -2.855  0.00  0.00    +0.153 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.933  -0.040  -1.306  0.00  0.00    +0.149 C 
ATOM     23  C   LIG    1        4.183   0.067   0.174  0.00  0.00    +0.126 C 
ATOM     24  C   LIG    1        5.629   0.558   0.136  0.00  0.00    +0.241 C 
ATOM     25  C   LIG    1        6.592  -0.202   1.006  0.00  0.00    +0.020 C 
ATOM     26  C   LIG    1        6.245  -1.312   1.673  0.00  0.00    -0.001 C 
ATOM     27  C   LIG    1        4.918  -1.868   1.568  0.00  0.00    -0.004 C 
ATOM     28  O   LIG    1        6.075   0.442  -1.225  0.00  0.00    -0.384 OA
ATOM     29  C   LIG    1        3.953  -1.250   0.874  0.00  0.00    -0.012 C 
ATOM     30  N   LIG    1        4.970   0.165  -2.059  0.00  0.00    -0.072 NA
ENDBRANCH  20  22
ENDBRANCH   7  20
TORSDOF 3