REMARK  Name = LIG000109
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.710  -0.289  -0.256  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -2.857   0.219  -0.733  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -2.704   0.768  -1.946  0.00  0.00    +0.167 A 
ATOM      4  C   LIG    1       -1.536   0.858  -2.679  0.00  0.00    +0.148 A 
ATOM      5  N   LIG    1       -1.759   1.483  -3.889  0.00  0.00    -0.231 NA
ATOM      6  C   LIG    1       -3.044   1.772  -3.883  0.00  0.00    +0.201 A 
ATOM      7  C   LIG    1       -0.381   0.311  -2.095  0.00  0.00    +0.152 A 
ATOM      8  N   LIG    1       -3.659   1.358  -2.729  0.00  0.00    -0.312 N 
ATOM      9  N   LIG    1       -0.518  -0.276  -0.877  0.00  0.00    -0.197 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -5.068   1.507  -2.392  0.00  0.00    +0.084 C 
ATOM     11  C   LIG    1       -5.471   2.978  -2.300  0.00  0.00    +0.030 C 
ATOM     12  C   LIG    1       -5.964   0.744  -3.368  0.00  0.00    +0.030 C 
ENDBRANCH   8  10
BRANCH   1  13
ATOM     13  N   LIG    1       -1.686  -0.908   0.993  0.00  0.00    -0.308 N 
ATOM     14  H   LIG    1       -0.687  -0.960   1.194  0.00  0.00    +0.149 HD
BRANCH  13  15
ATOM     15  CA  LIG    1       -2.468  -0.220   2.033  0.00  0.00    +0.098 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -1.646  -1.825   3.909  0.00  0.00    +0.006 C 
ATOM     17  C   LIG    1       -1.761  -0.396   3.396  0.00  0.00    +0.021 C 
ENDBRANCH  15  17
BRANCH  15  18
ATOM     18  C   LIG    1       -3.917  -0.756   2.045  0.00  0.00    +0.178 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -3.941  -2.179   1.925  0.00  0.00    -0.393 OA
ATOM     20  H   LIG    1       -3.230  -2.374   1.279  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        0.861   0.374  -2.736  0.00  0.00    -0.323 N 
ATOM     22  H   LIG    1        0.718   0.576  -3.723  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        1.776  -0.721  -2.463  0.00  0.00    +0.138 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.599  -0.481  -1.216  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        2.625  -1.433  -0.188  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        3.399  -1.224   0.957  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        4.170  -0.061   1.097  0.00  0.00    -0.033 A 
ATOM     28  C   LIG    1        4.141   0.892   0.069  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        3.367   0.683  -1.075  0.00  0.00    +0.005 A 
BRANCH  27  30
ATOM     30  C   LIG    1        5.004   0.169   2.340  0.00  0.00    +0.119 C 
BRANCH  30  31
ATOM     31  N   LIG    1        6.389  -0.327   2.319  0.00  0.00    -0.304 NA
ATOM     32  C   LIG    1        6.480  -1.778   2.205  0.00  0.00    +0.104 C 
ATOM     33  C   LIG    1        7.221   0.333   1.319  0.00  0.00    +0.104 C 
ENDBRANCH  30  31
ENDBRANCH  27  30
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   7  21
TORSDOF 11