REMARK  Name = LIG001082
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.927   1.685  -0.779  0.00  0.00    +0.030 A 
ATOM      2  C   LIG    1       -0.161   0.827   0.025  0.00  0.00    +0.037 A 
ATOM      3  C   LIG    1        1.153   0.582  -0.328  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1        2.167  -0.245   0.322  0.00  0.00    +0.255 C 
ATOM      5  N   LIG    1        3.295  -0.162  -0.449  0.00  0.00    -0.222 N 
ATOM      6  C   LIG    1        3.119   0.699  -1.500  0.00  0.00    +0.254 C 
ATOM      7  O   LIG    1        3.919   1.038  -2.350  0.00  0.00    -0.270 OA
ATOM      8  O   LIG    1        1.990  -0.855   1.359  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        1.735   1.161  -1.435  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1        1.035   2.018  -2.252  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -0.301   2.274  -1.912  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        4.591  -0.720  -0.097  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1        5.213   0.114   1.028  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1        4.909   1.281   1.264  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1        6.212  -0.505   1.746  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1        6.634   0.046   2.481  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        6.608  -1.818   1.680  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1        7.477  -2.256   2.428  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        5.967  -2.666   0.604  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1        4.554  -2.194   0.298  0.00  0.00    +0.041 C 
ENDBRANCH   5  12
BRANCH   1  21
ATOM     21  N   LIG    1       -2.260   1.948  -0.447  0.00  0.00    -0.328 N 
ATOM     22  C   LIG    1       -2.782   3.274  -0.794  0.00  0.00    +0.129 C 
BRANCH  21  24
ATOM     23  C   LIG    1       -3.350  -0.027   0.742  0.00  0.00    +0.074 C 
ATOM     24  C   LIG    1       -3.275   0.845  -0.544  0.00  0.00    +0.090 C 
ATOM     25  C   LIG    1       -3.140  -0.019  -1.814  0.00  0.00    +0.024 C 
ATOM     26  C   LIG    1       -3.770  -1.408  -1.662  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1       -4.965  -1.398  -0.720  0.00  0.00    +0.002 C 
ATOM     28  C   LIG    1       -4.595  -0.936   0.694  0.00  0.00    +0.020 C 
BRANCH  23  30
ATOM     29  C   LIG    1       -2.963   0.101   3.147  0.00  0.00    +0.101 C 
ATOM     30  N   LIG    1       -3.371   0.822   1.950  0.00  0.00    -0.314 NA
ATOM     31  H   LIG    1       -2.713   1.591   1.774  0.00  0.00    +0.122 HD
ENDBRANCH  23  30
ENDBRANCH  21  24
ENDBRANCH   1  21
TORSDOF 4