REMARK  Name = LIG000871
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.502  -1.158  -1.904  0.00  0.00    +0.016 C 
ATOM      2  C   LIG    1        2.060  -0.542  -0.551  0.00  0.00    -0.008 C 
ATOM      3  C   LIG    1        0.522  -0.868  -0.374  0.00  0.00    +0.003 C 
ATOM      4  C   LIG    1       -0.422  -0.027  -1.273  0.00  0.00    +0.005 C 
ATOM      5  C   LIG    1       -1.924  -0.270  -1.022  0.00  0.00    +0.013 C 
ATOM      6  C   LIG    1       -2.302  -0.097   0.464  0.00  0.00    +0.012 C 
ATOM      7  C   LIG    1       -1.415  -1.151   1.197  0.00  0.00    +0.008 C 
ATOM      8  C   LIG    1       -2.061  -1.327   2.561  0.00  0.00    +0.033 C 
ATOM      9  C   LIG    1       -3.498  -1.212   2.148  0.00  0.00    -0.004 C 
ATOM     10  C   LIG    1       -3.669  -0.573   0.965  0.00  0.00    +0.027 C 
ATOM     11  C   LIG    1       -2.049   1.339   0.986  0.00  0.00    +0.018 C 
ATOM     12  C   LIG    1        0.087  -0.856   1.117  0.00  0.00    +0.001 C 
ATOM     13  C   LIG    1        0.898  -1.901   1.897  0.00  0.00    +0.031 C 
ATOM     14  C   LIG    1        2.367  -1.770   1.650  0.00  0.00    -0.027 C 
ATOM     15  C   LIG    1        2.900  -1.140   0.588  0.00  0.00    -0.065 C 
ATOM     16  C   LIG    1        4.389  -0.879   0.530  0.00  0.00    +0.056 C 
ATOM     17  C   LIG    1        4.646   0.637   0.509  0.00  0.00    +0.092 C 
ATOM     18  C   LIG    1        3.843   1.342  -0.596  0.00  0.00    +0.026 C 
ATOM     19  C   LIG    1        2.348   0.985  -0.557  0.00  0.00    +0.013 C 
ENDROOT
BRANCH  10  20
ATOM     20  N   LIG    1       -4.918  -0.418   0.320  0.00  0.00    -0.302 N 
ATOM     21  C   LIG    1       -5.358   0.440  -0.695  0.00  0.00    +0.073 A 
ATOM     22  C   LIG    1       -6.674   0.042  -0.964  0.00  0.00    +0.089 A 
ATOM     23  C   LIG    1       -7.426   0.686  -1.962  0.00  0.00    +0.030 A 
ATOM     24  C   LIG    1       -6.860   1.749  -2.665  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -5.571   2.173  -2.368  0.00  0.00    +0.002 A 
ATOM     26  N   LIG    1       -7.071  -0.970  -0.147  0.00  0.00    -0.235 NA
ATOM     27  C   LIG    1       -4.807   1.538  -1.379  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1       -6.033  -1.197   0.617  0.00  0.00    +0.205 A 
ENDBRANCH  10  20
BRANCH  17  29
ATOM     29  N   LIG    1        6.068   0.942   0.427  0.00  0.00    -0.333 N 
ATOM     30  C   LIG    1        6.794   1.598   1.381  0.00  0.00    +0.199 A 
ATOM     31  N   LIG    1        8.053   1.722   1.028  0.00  0.00    -0.244 NA
ATOM     32  C   LIG    1        8.144   1.125  -0.202  0.00  0.00    +0.130 A 
ATOM     33  C   LIG    1        6.922   0.632  -0.596  0.00  0.00    +0.107 A 
ENDBRANCH  17  29
TORSDOF 2