REMARK  Name = LIG000396
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.076   0.966   1.370  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1       -0.216   0.530   1.089  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -0.972   0.366  -0.165  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1       -2.203  -0.141   0.165  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1       -2.353  -0.246   1.516  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1       -3.333  -0.574   2.156  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1       -0.579   0.631  -1.286  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1       -1.081   0.151   2.110  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -0.736   0.184   3.449  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        0.546   0.620   3.761  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        1.432   1.005   2.736  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -3.275  -0.296  -0.806  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1       -4.197   0.926  -0.742  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -3.852   2.023  -0.305  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -5.454   0.753  -1.278  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -6.060   1.562  -1.250  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -6.029  -0.413  -1.719  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -7.188  -0.434  -2.122  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -5.145  -1.639  -1.740  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -4.089  -1.578  -0.646  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  22
ATOM     21  C   LIG    1        1.685   2.723  -0.067  0.00  0.00    +0.129 C 
ATOM     22  N   LIG    1        2.056   1.392   0.455  0.00  0.00    -0.329 N 
BRANCH  22  23
ATOM     23  C   LIG    1        2.503   0.423  -0.592  0.00  0.00    +0.073 C 
ATOM     24  C   LIG    1        2.467  -1.050  -0.109  0.00  0.00    +0.022 C 
ATOM     25  C   LIG    1        3.425  -1.936  -0.897  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1        4.877  -1.508  -0.689  0.00  0.00    +0.000 C 
ATOM     27  C   LIG    1        5.021  -0.017  -0.391  0.00  0.00    +0.002 C 
ATOM     28  C   LIG    1        3.930   0.802  -1.073  0.00  0.00    +0.022 C 
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 3