REMARK  Name = LIG001099
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.523  -0.931   0.497  0.00  0.00    +0.222 A 
ATOM      2  N   LIG    1       -0.808  -1.983   1.383  0.00  0.00    -0.182 N 
ATOM      3  C   LIG    1       -2.091  -2.202   1.806  0.00  0.00    +0.176 A 
ATOM      4  C   LIG    1       -2.003  -3.285   2.643  0.00  0.00    +0.082 A 
ATOM      5  C   LIG    1       -0.648  -3.647   2.671  0.00  0.00    +0.152 A 
ATOM      6 BR   LIG    1       -3.368  -4.145   3.582  0.00  0.00    -0.045 Br
ATOM      7  N   LIG    1       -3.098  -1.405   1.371  0.00  0.00    -0.194 NA
ATOM      8  C   LIG    1       -2.802  -0.433   0.544  0.00  0.00    +0.223 A 
ATOM      9  N   LIG    1        0.106  -2.849   1.903  0.00  0.00    -0.169 NA
ATOM     10  N   LIG    1       -1.515  -0.184   0.099  0.00  0.00    -0.181 NA
ENDROOT
BRANCH   8  11
ATOM     11  N   LIG    1       -3.800   0.395   0.084  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1       -5.183   0.279   0.557  0.00  0.00    +0.136 C 
ATOM     13  C   LIG    1       -5.893   1.635   0.458  0.00  0.00    +0.179 C 
ATOM     14  O   LIG    1       -5.936   2.173  -0.872  0.00  0.00    -0.377 OA
ATOM     15  C   LIG    1       -4.835   1.754  -1.690  0.00  0.00    +0.179 C 
ATOM     16  C   LIG    1       -3.553   1.451  -0.902  0.00  0.00    +0.136 C 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1        0.745  -0.662   0.032  0.00  0.00    -0.306 N 
ATOM     18  H   LIG    1        0.819   0.236  -0.445  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.980  -1.041   0.686  0.00  0.00    +0.178 C 
BRANCH  19  28
ATOM     20  F   LIG    1        7.014   3.300  -2.224  0.00  0.00    -0.202 F 
ATOM     21  C   LIG    1        6.434   2.247  -1.630  0.00  0.00    +0.161 A 
ATOM     22  C   LIG    1        5.060   2.256  -1.392  0.00  0.00    +0.186 A 
ATOM     23  F   LIG    1        4.320   3.314  -1.756  0.00  0.00    -0.200 F 
ATOM     24  C   LIG    1        4.478   1.141  -0.768  0.00  0.00    +0.127 A 
ATOM     25  C   LIG    1        5.293   0.068  -0.410  0.00  0.00    +0.069 A 
ATOM     26  N   LIG    1        4.436  -0.839   0.163  0.00  0.00    -0.340 N 
ATOM     27  H   LIG    1        4.692  -1.744   0.533  0.00  0.00    +0.167 HD
ATOM     28  C   LIG    1        3.170  -0.309   0.138  0.00  0.00    +0.126 A 
ATOM     29  C   LIG    1        6.672   0.039  -0.640  0.00  0.00    +0.031 A 
ATOM     30  N   LIG    1        3.169   0.887  -0.420  0.00  0.00    -0.228 NA
ATOM     31  C   LIG    1        7.229   1.162  -1.263  0.00  0.00    +0.043 A 
ENDBRANCH  19  28
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 4