REMARK  Name = LIG001429
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.754   0.110   0.018  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        4.222  -0.861  -0.819  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        4.766  -1.459  -1.726  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.821  -1.039  -0.423  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        2.531  -0.115   0.573  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1        1.264  -0.067   1.131  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1        0.267  -0.946   0.666  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.610  -1.897  -0.321  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        1.889  -1.942  -0.888  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        3.733   0.718   0.861  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        9.466   1.919  -2.191  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        8.453   1.504  -1.635  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        7.214   1.988  -1.970  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        7.192   2.671  -2.715  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        6.013   1.744  -1.345  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        5.010   2.385  -1.655  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        6.053   0.744  -0.178  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        7.202  -0.247  -0.359  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        8.510   0.516  -0.493  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  N   LIG    1       -0.979  -0.918   1.303  0.00  0.00    -0.340 N 
ATOM     21  H   LIG    1       -1.194  -0.002   1.689  0.00  0.00    +0.146 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.136  -1.522   0.656  0.00  0.00    +0.137 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.376  -1.196   1.456  0.00  0.00    -0.027 A 
ATOM     24  C   LIG    1       -4.291  -0.237   0.998  0.00  0.00    +0.051 A 
ATOM     25  C   LIG    1       -5.432   0.061   1.749  0.00  0.00    +0.129 A 
ATOM     26  C   LIG    1       -5.647  -0.559   2.979  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1       -4.737  -1.506   3.448  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -3.609  -1.824   2.690  0.00  0.00    +0.005 A 
BRANCH  25  29
ATOM     29  O   LIG    1       -6.347   1.014   1.363  0.00  0.00    -0.456 OA
BRANCH  29  30
ATOM     30  C   LIG    1       -6.787   0.972   0.059  0.00  0.00    +0.128 A 
ATOM     31  C   LIG    1       -7.248  -0.202  -0.542  0.00  0.00    +0.046 A 
ATOM     32  C   LIG    1       -7.713  -0.170  -1.858  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1       -7.731   1.034  -2.563  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -7.293   2.210  -1.952  0.00  0.00    +0.004 A 
ATOM     35  C   LIG    1       -6.828   2.181  -0.637  0.00  0.00    +0.046 A 
ENDBRANCH  29  30
ENDBRANCH  25  29
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   7  20
TORSDOF 6