REMARK  Name = LIG001865
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.354  -0.666  -0.415  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -2.220   0.216   0.641  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -3.090   0.730   1.315  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -0.785   0.479   0.797  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -0.110  -0.195  -0.218  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        1.268  -0.115  -0.311  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        1.960   0.663   0.636  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        1.258   1.328   1.666  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -0.136   1.243   1.748  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -1.085  -0.918  -1.084  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        3.448   0.731   0.532  0.00  0.00    +0.075 A 
ATOM     12  N   LIG    1        4.093  -0.312   0.086  0.00  0.00    -0.227 NA
ATOM     13  C   LIG    1        5.457  -0.213   0.011  0.00  0.00    +0.170 A 
ATOM     14  N   LIG    1        6.137   0.952   0.382  0.00  0.00    -0.221 N 
ATOM     15  N   LIG    1        7.482   0.832   0.229  0.00  0.00    -0.172 NA
ATOM     16  C   LIG    1        7.651  -0.408  -0.237  0.00  0.00    +0.152 A 
ATOM     17  C   LIG    1        5.433   2.061   0.834  0.00  0.00    +0.117 A 
ATOM     18  C   LIG    1        6.438  -1.086  -0.387  0.00  0.00    +0.082 A 
ATOM     19 BR   LIG    1        6.253  -2.836  -1.013  0.00  0.00    -0.045 Br
ATOM     20  C   LIG    1        4.097   2.026   0.931  0.00  0.00    +0.048 A 
ENDBRANCH   7  11
BRANCH   1  27
ATOM     21  O   LIG    1       -7.211   0.544   0.325  0.00  0.00    -0.275 OA
ATOM     22  C   LIG    1       -6.152   0.037  -0.041  0.00  0.00    +0.219 C 
ATOM     23  N   LIG    1       -5.525   0.483  -1.175  0.00  0.00    -0.255 N 
ATOM     24  H   LIG    1       -5.955   1.283  -1.617  0.00  0.00    +0.158 HD
ATOM     25  C   LIG    1       -4.307   0.105  -1.678  0.00  0.00    +0.240 C 
ATOM     26  O   LIG    1       -3.784   0.737  -2.597  0.00  0.00    -0.273 OA
ATOM     27  C   LIG    1       -3.616  -1.086  -1.014  0.00  0.00    +0.163 C 
ATOM     28  C   LIG    1       -4.539  -1.899  -0.108  0.00  0.00    +0.041 C 
ATOM     29  C   LIG    1       -5.481  -1.064   0.740  0.00  0.00    +0.098 C 
ENDBRANCH   1  27
TORSDOF 2