REMARK  Name = LIG000501
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.546   2.565   1.403  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1       -1.087   1.264   1.402  0.00  0.00    +0.011 A 
ATOM      3  C   LIG    1       -2.200   1.009   0.621  0.00  0.00    -0.018 A 
ATOM      4  C   LIG    1       -2.975  -0.255   0.452  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1       -3.965   0.113  -0.554  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -3.917   1.465  -0.863  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1       -4.666   2.095  -1.584  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.764   2.023  -0.148  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -2.262   3.309  -0.176  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -1.136   3.576   0.608  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -5.119  -0.713  -0.884  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -6.124  -0.802   0.277  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -6.096  -0.091   1.278  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -7.098  -1.766   0.138  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -7.745  -1.828   0.912  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -6.999  -2.905  -0.620  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -7.729  -3.869  -0.413  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -5.968  -2.894  -1.725  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -4.723  -2.125  -1.308  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1        0.686   2.862   2.223  0.00  0.00    +0.139 C 
BRANCH  20  22
ATOM     21  C   LIG    1        2.490   1.281   1.685  0.00  0.00    +0.244 C 
ATOM     22  N   LIG    1        1.883   2.498   1.496  0.00  0.00    -0.307 N 
ATOM     23  H   LIG    1        2.099   3.057   0.685  0.00  0.00    +0.149 HD
ATOM     24  O   LIG    1        2.110   0.469   2.523  0.00  0.00    -0.270 OA
BRANCH  21  29
ATOM     25  C   LIG    1        4.749  -3.109  -0.048  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1        5.519  -1.916  -0.549  0.00  0.00    -0.040 A 
ATOM     27  C   LIG    1        5.158  -0.594  -0.214  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        4.031  -0.285   0.666  0.00  0.00    +0.024 C 
ATOM     29  C   LIG    1        3.642   0.992   0.785  0.00  0.00    +0.052 C 
ATOM     30  C   LIG    1        4.354   2.095   0.069  0.00  0.00    +0.269 C 
ATOM     31  O   LIG    1        5.666   1.786  -0.424  0.00  0.00    -0.487 OA
ATOM     32  C   LIG    1        5.921   0.472  -0.713  0.00  0.00    +0.128 A 
ATOM     33  C   LIG    1        7.039   0.239  -1.514  0.00  0.00    +0.046 A 
ATOM     34  C   LIG    1        7.397  -1.064  -1.846  0.00  0.00    +0.004 A 
ATOM     35  C   LIG    1        6.641  -2.134  -1.368  0.00  0.00    +0.004 A 
ENDBRANCH  21  29
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 4