REMARK  Name = LIG001672
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.084   0.452   0.291  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -3.728   0.617   1.622  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -4.405   0.436   2.615  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -2.325   1.047   1.636  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -1.859   1.044   0.324  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1       -0.552   1.404   0.048  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        0.286   1.777   1.116  0.00  0.00    -0.030 A 
ATOM      8  C   LIG    1       -0.210   1.761   2.442  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -1.531   1.395   2.711  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -2.938   0.589  -0.598  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -8.748  -2.475   0.105  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -7.741  -1.773   0.098  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -6.491  -2.330   0.188  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -6.460  -3.335   0.290  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -5.273  -1.703   0.051  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -4.238  -2.365  -0.004  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -5.320  -0.181  -0.156  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -6.578   0.410   0.479  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -7.805  -0.276  -0.101  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  C   LIG    1        1.725   2.144   0.849  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.552   0.968   0.783  0.00  0.00    -0.306 N 
ATOM     22  H   LIG    1        2.716   0.427   1.627  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        2.829   0.330  -0.403  0.00  0.00    +0.262 C 
ATOM     24  O   LIG    1        2.530   0.730  -1.516  0.00  0.00    -0.269 OA
BRANCH  23  25
ATOM     25  C   LIG    1        3.562  -1.001  -0.224  0.00  0.00    +0.145 C 
ATOM     26  N   LIG    1        3.489  -1.567   0.951  0.00  0.00    -0.087 NA
BRANCH  26  27
ATOM     27  O   LIG    1        4.207  -2.767   0.992  0.00  0.00    -0.409 OA
ATOM     28  H   LIG    1        4.025  -3.097   1.894  0.00  0.00    +0.328 HD
ENDBRANCH  26  27
BRANCH  25  29
ATOM     29  C   LIG    1        4.320  -1.512  -1.428  0.00  0.00    +0.099 C 
BRANCH  29  30
ATOM     30  C   LIG    1        5.653  -0.819  -1.592  0.00  0.00    -0.041 A 
ATOM     31  C   LIG    1        5.780   0.290  -2.441  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        7.007   0.943  -2.574  0.00  0.00    +0.015 A 
ATOM     33  C   LIG    1        8.112   0.492  -1.855  0.00  0.00    +0.018 A 
ATOM     34 BR   LIG    1        9.773   1.377  -2.033  0.00  0.00    -0.050 Br
ATOM     35  C   LIG    1        8.000  -0.605  -1.002  0.00  0.00    +0.015 A 
ATOM     36  C   LIG    1        6.772  -1.256  -0.870  0.00  0.00    +0.005 A 
ENDBRANCH  29  30
ENDBRANCH  25  29
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 7