REMARK  Name = LIG000188
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.247  -0.758  -0.275  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -1.811  -1.986   0.167  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1       -0.964  -2.296   1.325  0.00  0.00    +0.164 C 
ATOM      4  C   LIG    1       -1.278  -3.761   1.612  0.00  0.00    +0.065 C 
ATOM      5  C   LIG    1       -1.533  -4.352   0.227  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -2.219  -3.207  -0.523  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1       -2.785  -0.653  -1.383  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        0.545  -2.140   1.029  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        0.876  -2.113  -0.308  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1        0.142  -1.852  -0.956  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        1.377  -2.167   1.932  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        2.248  -1.970  -0.764  0.00  0.00    +0.100 C 
ATOM     13  C   LIG    1        2.443  -2.718  -2.083  0.00  0.00    +0.033 C 
BRANCH  12  14
ATOM     14  C   LIG    1        2.627  -0.506  -0.868  0.00  0.00    -0.027 A 
ATOM     15  C   LIG    1        3.553   0.038   0.033  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1        3.922   1.385  -0.043  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        3.381   2.237  -1.017  0.00  0.00    -0.044 A 
ATOM     18  C   LIG    1        2.439   1.688  -1.899  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        2.063   0.342  -1.830  0.00  0.00    +0.006 A 
BRANCH  17  20
ATOM     20  C   LIG    1        3.753   3.698  -1.081  0.00  0.00    +0.019 C 
ATOM     21  C   LIG    1        4.304   4.281  -2.361  0.00  0.00    +0.009 C 
ATOM     22  C   LIG    1        5.205   4.110  -1.176  0.00  0.00    +0.009 C 
ENDBRANCH  17  20
ENDBRANCH  12  14
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   5  23
ATOM     23  O   LIG    1       -2.361  -5.498   0.316  0.00  0.00    -0.390 OA
ATOM     24  H   LIG    1       -1.882  -6.172   0.830  0.00  0.00    +0.210 HD
ENDBRANCH   5  23
BRANCH   1  25
ATOM     25  C   LIG    1       -2.087   0.483   0.646  0.00  0.00    +0.164 C 
BRANCH  25  28
ATOM     26  C   LIG    1        0.235   2.386   1.010  0.00  0.00    +0.109 C 
ATOM     27  C   LIG    1       -0.662   2.435  -0.196  0.00  0.00    +0.211 C 
ATOM     28  N   LIG    1       -1.723   1.585  -0.251  0.00  0.00    -0.304 N 
ATOM     29  H   LIG    1       -2.240   1.641  -1.126  0.00  0.00    +0.149 HD
ATOM     30  O   LIG    1       -0.473   3.227  -1.118  0.00  0.00    -0.276 OA
ENDBRANCH  25  28
BRANCH  25  31
ATOM     31  C   LIG    1       -3.393   0.799   1.456  0.00  0.00    -0.011 C 
ATOM     32  C   LIG    1       -3.803  -0.391   2.345  0.00  0.00    +0.013 C 
ATOM     33  C   LIG    1       -4.584   1.142   0.537  0.00  0.00    +0.013 C 
ATOM     34  C   LIG    1       -3.149   2.004   2.390  0.00  0.00    +0.013 C 
ENDBRANCH  25  31
ENDBRANCH   1  25
TORSDOF 8