REMARK  Name = LIG001686
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.117  -0.899   0.537  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1        1.072   0.058   0.154  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        2.420  -0.244   0.274  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1        3.614   0.601  -0.021  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1        4.725  -0.324   0.190  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        4.290  -1.516   0.758  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1        4.960  -2.428   1.202  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.825  -1.486   0.747  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1        1.928  -2.468   1.105  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        0.568  -2.167   0.980  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        6.129   0.101   0.224  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        6.335   1.511  -0.352  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        5.982   2.530   0.242  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        6.794   1.594  -1.645  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        6.842   2.526  -2.035  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        6.931   0.569  -2.546  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        7.095   0.799  -3.741  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        6.798  -0.833  -2.005  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        7.067  -0.867  -0.508  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  N   LIG    1       -1.259  -0.714   0.379  0.00  0.00    -0.340 N 
ATOM     21  H   LIG    1       -1.805  -1.314   0.993  0.00  0.00    +0.146 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -1.811   0.630   0.281  0.00  0.00    +0.137 C 
BRANCH  22  30
ATOM     23  C   LIG    1       -5.449   0.871   1.436  0.00  0.00    +0.128 A 
ATOM     24  C   LIG    1       -6.142   0.352   0.312  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1       -5.403  -0.070  -0.819  0.00  0.00    -0.014 A 
ATOM     26  C   LIG    1       -6.074  -0.592  -1.938  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -7.464  -0.700  -1.955  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -8.202  -0.287  -0.853  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -4.005   0.034  -0.812  0.00  0.00    +0.014 A 
ATOM     30  C   LIG    1       -3.320   0.549   0.295  0.00  0.00    -0.026 A 
ATOM     31  C   LIG    1       -7.549   0.233   0.266  0.00  0.00    +0.012 A 
ATOM     32  C   LIG    1       -4.051   0.957   1.420  0.00  0.00    +0.051 A 
BRANCH  23  34
ATOM     33  C   LIG    1       -5.588   1.908   3.590  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1       -6.228   1.252   2.504  0.00  0.00    -0.494 OA
ENDBRANCH  23  34
ENDBRANCH  22  30
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 5