REMARK  Name = LIG000020
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.964  -0.154   0.836  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -3.466  -1.186   0.137  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -2.627  -1.613  -0.818  0.00  0.00    +0.167 A 
ATOM      4  C   LIG    1       -1.374  -1.112  -1.111  0.00  0.00    +0.148 A 
ATOM      5  N   LIG    1       -0.789  -1.815  -2.145  0.00  0.00    -0.231 NA
ATOM      6  C   LIG    1       -1.688  -2.715  -2.485  0.00  0.00    +0.201 A 
ATOM      7  C   LIG    1       -0.927  -0.035  -0.328  0.00  0.00    +0.152 A 
ATOM      8  N   LIG    1       -2.817  -2.633  -1.711  0.00  0.00    -0.312 N 
ATOM      9  N   LIG    1       -1.757   0.416   0.648  0.00  0.00    -0.197 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -4.004  -3.470  -1.814  0.00  0.00    +0.084 C 
ATOM     11  C   LIG    1       -4.696  -3.300  -3.167  0.00  0.00    +0.030 C 
ATOM     12  C   LIG    1       -3.684  -4.938  -1.533  0.00  0.00    +0.030 C 
ENDBRANCH   8  10
BRANCH   1  13
ATOM     13  N   LIG    1       -3.804   0.328   1.833  0.00  0.00    -0.308 N 
ATOM     14  H   LIG    1       -4.487  -0.406   1.987  0.00  0.00    +0.149 HD
BRANCH  13  15
ATOM     15  CA  LIG    1       -3.142   0.858   3.028  0.00  0.00    +0.098 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -4.127  -0.851   4.658  0.00  0.00    +0.006 C 
ATOM     17  C   LIG    1       -4.043   0.619   4.260  0.00  0.00    +0.021 C 
ENDBRANCH  15  17
BRANCH  15  18
ATOM     18  C   LIG    1       -2.881   2.371   2.853  0.00  0.00    +0.178 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -2.169   2.903   3.971  0.00  0.00    -0.393 OA
ATOM     20  H   LIG    1       -1.984   3.834   3.757  0.00  0.00    +0.209 HD
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   7  21
ATOM     21  N   LIG    1        0.327   0.554  -0.545  0.00  0.00    -0.327 N 
ATOM     22  H   LIG    1        0.885  -0.081  -1.110  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        0.964   1.081   0.648  0.00  0.00    +0.103 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.327   1.714   0.327  0.00  0.00    +0.022 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.504   0.714   0.248  0.00  0.00    -0.010 C 
ATOM     26  C   LIG    1        3.572  -0.146  -1.026  0.00  0.00    +0.003 C 
ATOM     27  C   LIG    1        3.378   0.510  -2.396  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1        4.271   1.688  -2.776  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1        5.738   1.527  -2.388  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1        6.193   2.482  -1.287  0.00  0.00    +0.000 C 
ATOM     31  C   LIG    1        5.263   2.651  -0.085  0.00  0.00    +0.000 C 
ATOM     32  C   LIG    1        4.863   1.358   0.622  0.00  0.00    +0.003 C 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   7  21
TORSDOF 10