REMARK  Name = LIG000170
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.460  -0.300  -0.404  0.00  0.00    +0.089 A 
ATOM      2  N   LIG    1        0.677  -0.175   0.723  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1       -0.551  -0.510   0.369  0.00  0.00    +0.128 A 
ATOM      4  N   LIG    1       -0.581  -0.834  -0.966  0.00  0.00    -0.346 N 
ATOM      5  H   LIG    1       -1.417  -1.056  -1.499  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1        0.686  -0.708  -1.466  0.00  0.00    +0.112 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.749  -0.530   1.276  0.00  0.00    +0.144 C 
ATOM      8  N   LIG    1       -2.849  -1.367   0.767  0.00  0.00    -0.288 N 
ATOM      9  C   LIG    1       -3.838  -1.010  -0.133  0.00  0.00    +0.234 C 
ATOM     10  O   LIG    1       -4.813  -1.744  -0.318  0.00  0.00    -0.274 OA
ATOM     11  C   LIG    1       -3.056  -2.512   1.648  0.00  0.00    +0.140 C 
ATOM     12  C   LIG    1       -2.583  -1.999   3.004  0.00  0.00    +0.134 C 
ATOM     13  C   LIG    1       -1.369  -1.163   2.633  0.00  0.00    +0.063 C 
BRANCH  12  14
ATOM     14  O   LIG    1       -3.559  -1.161   3.627  0.00  0.00    -0.390 OA
ATOM     15  H   LIG    1       -4.271  -0.986   2.986  0.00  0.00    +0.210 HD
ENDBRANCH  12  14
BRANCH   9  16
ATOM     16  C   LIG    1       -3.644   0.277  -0.989  0.00  0.00    +0.143 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -4.933   1.159  -1.127  0.00  0.00    -0.014 C 
ATOM     18  C   LIG    1       -6.046   0.511  -1.973  0.00  0.00    +0.012 C 
ATOM     19  C   LIG    1       -5.494   1.475   0.276  0.00  0.00    +0.012 C 
ATOM     20  C   LIG    1       -4.568   2.508  -1.791  0.00  0.00    +0.012 C 
ENDBRANCH  16  17
BRANCH  16  21
ATOM     21  N   LIG    1       -3.069  -0.171  -2.283  0.00  0.00    -0.320 NA
ATOM     22  H   LIG    1       -3.020   0.624  -2.922  0.00  0.00    +0.119 HD
ATOM     23  H   LIG    1       -3.742  -0.815  -2.711  0.00  0.00    +0.119 HD
ENDBRANCH  16  21
ENDBRANCH   9  16
ENDBRANCH   3   7
BRANCH   1  27
ATOM     24  C   LIG    1        5.659   0.561  -0.369  0.00  0.00    -0.010 A 
ATOM     25  C   LIG    1        4.881   0.714   0.783  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        3.511   0.428   0.758  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1        2.888  -0.017  -0.416  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        3.671  -0.172  -1.567  0.00  0.00    +0.010 A 
ATOM     29  C   LIG    1        5.043   0.113  -1.544  0.00  0.00    +0.010 A 
BRANCH  24  32
ATOM     30  C   LIG    1        7.968  -0.792   1.441  0.00  0.00    +0.067 C 
ATOM     31  C   LIG    1        8.103   0.299   0.439  0.00  0.00    +0.053 A 
ATOM     32  C   LIG    1        7.091   0.853  -0.335  0.00  0.00    +0.042 A 
ATOM     33  S   LIG    1        7.748   2.076  -1.350  0.00  0.00    -0.075 S 
ATOM     34  C   LIG    1        9.296   1.778  -0.688  0.00  0.00    +0.156 A 
ATOM     35  N   LIG    1        9.366   0.838   0.227  0.00  0.00    -0.252 NA
ENDBRANCH  24  32
ENDBRANCH   1  27
TORSDOF 7