REMARK  Name = LIG000025
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.213  -1.908   2.287  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1       -2.299  -1.544   1.497  0.00  0.00    -0.010 A 
ATOM      3  C   LIG    1       -2.578  -0.259   0.789  0.00  0.00    +0.145 C 
ATOM      4  N   LIG    1       -3.897  -0.481   0.214  0.00  0.00    -0.282 N 
ATOM      5  C   LIG    1       -4.324  -1.789   0.392  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1       -5.303  -2.336  -0.076  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -3.338  -2.444   1.258  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1       -3.360  -3.724   1.776  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -2.287  -4.105   2.578  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.230  -3.209   2.831  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -4.454   0.439  -0.773  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -3.991   0.074  -2.192  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -2.909  -0.459  -2.439  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -4.812   0.486  -3.218  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -4.491   0.275  -4.153  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -5.966   1.223  -3.130  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -6.537   1.625  -4.140  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -6.438   1.583  -1.741  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -5.977   0.557  -0.718  0.00  0.00    +0.041 C 
ENDBRANCH   4  11
BRANCH   1  22
ATOM     20  C   LIG    1        1.832   0.269   1.751  0.00  0.00    +0.122 A 
ATOM     21  C   LIG    1        0.773  -0.609   1.510  0.00  0.00    +0.054 A 
ATOM     22  C   LIG    1       -0.096  -0.995   2.548  0.00  0.00    -0.014 A 
ATOM     23  C   LIG    1        0.127  -0.489   3.837  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1        1.183   0.387   4.083  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        2.029   0.763   3.042  0.00  0.00    +0.046 A 
BRANCH  20  26
ATOM     26  O   LIG    1        2.733   0.719   0.827  0.00  0.00    -0.481 OA
BRANCH  26  27
ATOM     27  C   LIG    1        2.601   0.231  -0.503  0.00  0.00    +0.349 C 
BRANCH  27  28
ATOM     28  C   LIG    1        3.682   0.803  -1.407  0.00  0.00    +0.346 C 
ATOM     29  O   LIG    1        3.478   1.148  -2.564  0.00  0.00    -0.247 OA
BRANCH  28  30
ATOM     30  O   LIG    1        4.887   0.817  -0.775  0.00  0.00    -0.457 OA
BRANCH  30  32
ATOM     31  C   LIG    1        7.193   1.180  -0.397  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1        6.076   1.310  -1.443  0.00  0.00    +0.105 C 
ATOM     33  C   LIG    1        6.434   0.440  -2.653  0.00  0.00    +0.055 C 
ATOM     34  C   LIG    1        5.930   2.788  -1.823  0.00  0.00    +0.055 C 
ENDBRANCH  30  32
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  20  26
ENDBRANCH   1  22
TORSDOF 7