REMARK  Name = LIG001650
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.661   0.202   0.811  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        3.396  -0.429   2.018  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        4.008  -0.334   3.064  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.204  -1.258   1.810  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        1.833  -1.155   0.472  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1        0.729  -1.843   0.000  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -0.002  -2.645   0.898  0.00  0.00    -0.030 A 
ATOM      8  C   LIG    1        0.394  -2.728   2.255  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        1.512  -2.032   2.721  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        2.783  -0.264  -0.256  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        7.993   2.401  -1.727  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        7.115   1.989  -0.975  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        7.071   0.672  -0.593  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        7.753   0.078  -1.046  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        5.968   0.012  -0.100  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        5.875  -1.208  -0.215  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        4.913   0.909   0.570  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        4.720   2.164  -0.275  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        6.048   2.894  -0.405  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  C   LIG    1       -1.228  -3.381   0.416  0.00  0.00    +0.139 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -2.388  -2.517   0.449  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1       -2.721  -2.257   1.363  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1       -2.799  -1.832  -0.668  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1       -2.268  -1.969  -1.766  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1       -3.935  -0.887  -0.466  0.00  0.00    +0.052 C 
ATOM     26  C   LIG    1       -4.799  -0.970   0.755  0.00  0.00    +0.269 C 
ATOM     27  O   LIG    1       -6.041  -0.247   0.726  0.00  0.00    -0.487 OA
ATOM     28  C   LIG    1       -6.155   0.767  -0.182  0.00  0.00    +0.128 A 
ATOM     29  C   LIG    1       -5.270   0.943  -1.252  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -5.479   1.992  -2.151  0.00  0.00    +0.050 A 
ATOM     31  C   LIG    1       -6.562   2.846  -1.971  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -7.448   2.672  -0.914  0.00  0.00    +0.042 A 
ATOM     33  F   LIG    1       -6.758   3.852  -2.834  0.00  0.00    -0.205 F 
ATOM     34  C   LIG    1       -7.246   1.623  -0.018  0.00  0.00    +0.049 A 
ATOM     35  C   LIG    1       -4.161   0.017  -1.430  0.00  0.00    +0.023 C 
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 4