REMARK  Name = LIG000620
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.981  -1.189  -0.352  0.00  0.00    +0.031 A 
ATOM      2  C   LIG    1       -1.855  -0.541   0.130  0.00  0.00    +0.003 A 
ATOM      3  C   LIG    1       -0.422  -0.688  -0.266  0.00  0.00    +0.146 C 
ATOM      4  N   LIG    1        0.262   0.228   0.639  0.00  0.00    -0.282 N 
ATOM      5  C   LIG    1       -0.627   0.951   1.417  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1       -0.381   1.852   2.195  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -1.965   0.425   1.134  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1       -3.163   0.766   1.727  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1       -4.288   0.073   1.295  0.00  0.00    +0.020 A 
ATOM     10 BR   LIG    1       -5.967   0.439   2.087  0.00  0.00    -0.050 Br
ATOM     11  C   LIG    1       -4.198  -0.907   0.287  0.00  0.00    +0.038 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1        1.655   0.627   0.480  0.00  0.00    +0.163 C 
ATOM     13  C   LIG    1        1.877   1.473  -0.785  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1        0.976   1.940  -1.478  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1        3.194   1.678  -1.128  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1        3.330   2.220  -1.972  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        4.237   0.843  -0.817  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1        5.275   0.855  -1.471  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        4.040  -0.068   0.373  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1        2.605  -0.567   0.450  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  21
ATOM     21  N   LIG    1       -2.894  -2.237  -1.270  0.00  0.00    -0.358 N 
ATOM     22  H   LIG    1       -2.130  -2.161  -1.935  0.00  0.00    +0.142 HD
ATOM     23  H   LIG    1       -3.772  -2.452  -1.737  0.00  0.00    +0.142 HD
ENDBRANCH   1  21
TORSDOF 2