REMARK  Name = LIG001687
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.089   0.278  -0.749  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        2.965  -0.637  -0.202  0.00  0.00    -0.300 N 
ATOM      3  H   LIG    1        2.588  -1.274   0.494  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1        2.470   1.244  -1.403  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        4.388  -0.345  -0.123  0.00  0.00    +0.160 C 
ATOM      6  C   LIG    1        4.742   0.191   1.273  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1        3.912   0.556   2.103  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1        6.085   0.225   1.565  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1        6.305   0.562   2.494  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1        7.028  -0.617   1.034  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1        8.092  -0.822   1.612  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        6.694  -1.254  -0.296  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1        5.215  -1.596  -0.387  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   1  18
ATOM     14  C   LIG    1       -2.147  -0.260  -0.172  0.00  0.00    +0.123 A 
ATOM     15  C   LIG    1       -1.250  -1.166   0.395  0.00  0.00    +0.084 A 
ATOM     16  C   LIG    1        0.123  -1.005   0.218  0.00  0.00    +0.139 A 
ATOM     17  F   LIG    1        0.940  -1.904   0.789  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1        0.632   0.059  -0.527  0.00  0.00    +0.072 A 
ATOM     19  C   LIG    1       -0.273   0.968  -1.095  0.00  0.00    +0.019 A 
ATOM     20  C   LIG    1       -1.654   0.810  -0.919  0.00  0.00    +0.046 A 
BRANCH  14  21
ATOM     21  O   LIG    1       -3.464  -0.530   0.075  0.00  0.00    -0.492 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -4.430   0.373  -0.467  0.00  0.00    +0.229 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.814  -0.129  -0.060  0.00  0.00    +0.041 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -7.010   2.120  -0.155  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1       -6.962   0.685  -0.655  0.00  0.00    -0.000 C 
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  14  21
ENDBRANCH   1  18
TORSDOF 6