REMARK  Name = LIG001974
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.540   0.296  -0.216  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        0.216   0.454  -0.538  0.00  0.00    +0.256 C 
ATOM      3  O   LIG    1       -0.209   1.251  -1.354  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1       -0.566  -0.532   0.250  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1        0.395  -1.232   0.988  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        0.104  -2.249   1.875  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -1.231  -2.578   2.021  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -2.212  -1.883   1.286  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1       -1.930  -0.827   0.374  0.00  0.00    +0.043 A 
ATOM     10  C   LIG    1        1.719  -0.712   0.673  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1        2.754  -1.129   1.155  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1        6.567   0.172   0.097  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        5.411   0.440  -0.221  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1        4.757   1.501   0.349  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        5.262   1.950   1.101  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        3.412   1.772   0.303  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1        2.891   2.493   1.153  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1        2.610   1.092  -0.805  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1        3.476   0.356  -1.824  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1        4.633  -0.404  -1.201  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   9  21
ATOM     21  N   LIG    1       -2.980  -0.240  -0.296  0.00  0.00    -0.323 N 
ATOM     22  C   LIG    1       -4.369  -0.268   0.220  0.00  0.00    +0.180 C 
ATOM     23  C   LIG    1       -5.109   0.819  -0.562  0.00  0.00    +0.266 C 
ATOM     24  F   LIG    1       -5.105   1.992   0.115  0.00  0.00    -0.204 F 
ATOM     25  F   LIG    1       -6.394   0.492  -0.804  0.00  0.00    -0.204 F 
ATOM     26  C   LIG    1       -4.321   0.948  -1.840  0.00  0.00    +0.096 C 
ATOM     27  C   LIG    1       -2.886   0.773  -1.350  0.00  0.00    +0.111 C 
ENDBRANCH   9  21
TORSDOF 2