REMARK  Name = LIG000186
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.460   1.823  -0.166  0.00  0.00    +0.033 A 
ATOM      2  C   LIG    1        1.282   1.114  -0.024  0.00  0.00    +0.003 A 
ATOM      3  C   LIG    1       -0.126   1.597   0.075  0.00  0.00    +0.146 C 
ATOM      4  N   LIG    1       -0.883   0.369   0.270  0.00  0.00    -0.282 N 
ATOM      5  C   LIG    1       -0.081  -0.754   0.149  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1       -0.412  -1.923   0.124  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        1.301  -0.280   0.028  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        2.462  -1.031  -0.018  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1        3.664  -0.333  -0.091  0.00  0.00    +0.132 A 
ATOM     10  C   LIG    1        3.651   1.080  -0.142  0.00  0.00    +0.069 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -2.340   0.356   0.192  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -2.816   0.161  -1.256  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -2.190   0.565  -2.236  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -4.065  -0.396  -1.411  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -4.391  -0.491  -2.362  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -4.965  -0.730  -0.431  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -6.106  -1.083  -0.715  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -4.511  -0.551   0.999  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -2.999  -0.667   1.116  0.00  0.00    +0.041 C 
ENDBRANCH   4  11
BRANCH   1  20
ATOM     20  N   LIG    1        2.496   3.217  -0.108  0.00  0.00    -0.358 N 
ATOM     21  H   LIG    1        1.674   3.682  -0.479  0.00  0.00    +0.142 HD
ATOM     22  H   LIG    1        3.352   3.623  -0.480  0.00  0.00    +0.142 HD
ENDBRANCH   1  20
BRANCH   9  23
ATOM     23  O   LIG    1        4.917  -0.880  -0.113  0.00  0.00    -0.406 OA
BRANCH  23  24
ATOM     24  C   LIG    1        5.024  -2.293  -0.056  0.00  0.00    +0.575 C 
ATOM     25  F   LIG    1        4.418  -2.869  -1.115  0.00  0.00    -0.133 F 
ATOM     26  F   LIG    1        4.494  -2.774   1.088  0.00  0.00    -0.133 F 
ATOM     27  F   LIG    1        6.333  -2.629  -0.087  0.00  0.00    -0.133 F 
ENDBRANCH  23  24
ENDBRANCH   9  23
TORSDOF 4