REMARK  Name = LIG000445
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.529  -0.261   1.073  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        3.275   0.671   2.066  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        3.878   0.836   3.109  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.141   1.481   1.609  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        1.785   1.046   0.335  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1        0.741   1.653  -0.342  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        0.057   2.713   0.283  0.00  0.00    -0.030 A 
ATOM      8  C   LIG    1        0.437   3.132   1.581  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        1.494   2.516   2.255  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        2.666  -0.082  -0.090  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        7.877  -3.244  -0.514  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        6.957  -2.615   0.000  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        5.690  -3.138   0.060  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        5.568  -4.032  -0.396  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        4.529  -2.479   0.396  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        3.441  -3.002   0.167  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        4.709  -1.119   1.089  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        5.915  -0.395   0.486  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        7.158  -1.258   0.630  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  C   LIG    1       -1.105   3.372  -0.421  0.00  0.00    +0.139 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -2.306   2.578  -0.276  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1       -2.685   2.510   0.655  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1       -2.711   1.711  -1.261  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1       -2.136   1.614  -2.341  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1       -3.897   0.870  -0.933  0.00  0.00    +0.052 C 
ATOM     26  C   LIG    1       -4.815   1.238   0.192  0.00  0.00    +0.269 C 
ATOM     27  O   LIG    1       -6.099   0.595   0.214  0.00  0.00    -0.484 OA
ATOM     28  C   LIG    1       -6.210  -0.598  -0.447  0.00  0.00    +0.163 A 
ATOM     29  C   LIG    1       -5.277  -1.036  -1.390  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -5.479  -2.256  -2.051  0.00  0.00    +0.012 A 
ATOM     31  C   LIG    1       -6.606  -3.033  -1.770  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -7.539  -2.591  -0.834  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -7.338  -1.376  -0.184  0.00  0.00    +0.165 A 
ATOM     34  F   LIG    1       -8.248  -0.965   0.711  0.00  0.00    -0.202 F 
ATOM     35  C   LIG    1       -4.119  -0.208  -1.698  0.00  0.00    +0.023 C 
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 4