REMARK  Name = LIG000895
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.475  -0.077  -0.337  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.509  -0.089   0.686  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -0.832  -0.129   0.340  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1       -2.044  -0.132   1.209  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1       -3.130  -0.267   0.248  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -2.676  -0.175  -1.060  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1       -3.327  -0.108  -2.083  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -1.210  -0.147  -0.999  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -0.293  -0.128  -2.028  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        1.064  -0.094  -1.685  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -4.522  -0.092   0.648  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -4.934   1.388   0.595  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -4.156   2.316   0.814  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -6.274   1.635   0.407  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -6.548   2.607   0.409  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -7.298   0.723   0.351  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -8.470   1.089   0.343  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -6.911  -0.737   0.396  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -5.506  -0.953  -0.143  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  21
ATOM     20  C   LIG    1        3.946  -0.108  -0.744  0.00  0.00    +0.248 C 
ATOM     21  N   LIG    1        2.828  -0.029   0.066  0.00  0.00    -0.281 N 
ATOM     22  H   LIG    1        2.986  -0.004   1.065  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1        3.970  -0.316  -1.951  0.00  0.00    -0.270 OA
BRANCH  20  26
ATOM     24  C   LIG    1        7.578  -0.612   0.149  0.00  0.00    +0.052 A 
ATOM     25  C   LIG    1        6.338  -0.723  -0.486  0.00  0.00    +0.032 A 
ATOM     26  C   LIG    1        5.248   0.033  -0.035  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1        5.409   0.922   1.037  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        6.649   1.032   1.670  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        7.729   0.264   1.231  0.00  0.00    +0.019 A 
BRANCH  24  31
ATOM     30  N   LIG    1        9.599  -2.024  -0.657  0.00  0.00    -0.191 NA
ATOM     31  C   LIG    1        8.693  -1.392  -0.303  0.00  0.00    +0.099 C 
ENDBRANCH  24  31
ENDBRANCH  20  26
ENDBRANCH   1  21
TORSDOF 4