REMARK  Name = LIG000443
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.393  -0.707  -0.467  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1       -1.440   0.272  -0.387  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1       -1.575   1.458  -0.157  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -0.150  -0.378  -0.607  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -0.387  -1.731  -0.762  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        0.636  -2.633  -0.973  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        1.938  -2.120  -1.027  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        2.186  -0.734  -0.868  0.00  0.00    -0.016 A 
ATOM      9  C   LIG    1        1.123   0.156  -0.652  0.00  0.00    +0.022 A 
ATOM     10  C   LIG    1       -1.828  -1.942  -0.646  0.00  0.00    +0.254 C 
ATOM     11  O   LIG    1       -2.370  -3.028  -0.709  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -7.091   1.348   1.495  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -6.114   0.805   0.988  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -5.156   0.204   1.766  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -5.278   0.296   2.766  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -3.974  -0.373   1.355  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -3.159  -0.779   2.182  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -3.803  -0.526  -0.160  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1       -4.458   0.647  -0.884  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -5.932   0.706  -0.509  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   8  21
ATOM     21  C   LIG    1        3.551  -0.228  -0.921  0.00  0.00    -0.003 A 
ATOM     22  C   LIG    1        4.272   0.465   0.124  0.00  0.00    -0.003 A 
ATOM     23  C   LIG    1        5.558   0.820  -0.295  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        6.450   1.508   0.552  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1        6.040   1.839   1.845  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        4.773   1.494   2.290  0.00  0.00    +0.001 A 
ATOM     27  S   LIG    1        5.859   0.314  -1.913  0.00  0.00    -0.096 S 
ATOM     28  C   LIG    1        3.891   0.812   1.447  0.00  0.00    +0.009 A 
ATOM     29  C   LIG    1        4.306  -0.369  -2.067  0.00  0.00    +0.055 A 
ENDBRANCH   8  21
TORSDOF 2