REMARK  Name = LIG001966
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.148  -3.372   2.764  0.00  0.00    -0.315 N 
ATOM      2  C   LIG    1        0.227  -2.494   1.719  0.00  0.00    +0.167 A 
ATOM      3  C   LIG    1       -1.065  -2.050   1.534  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1       -1.262  -1.123   0.502  0.00  0.00    +0.152 A 
ATOM      5  N   LIG    1       -0.173  -0.744  -0.216  0.00  0.00    -0.197 NA
ATOM      6  C   LIG    1        1.059  -1.247   0.049  0.00  0.00    +0.221 A 
ATOM      7  N   LIG    1       -1.925  -2.625   2.448  0.00  0.00    -0.231 NA
ATOM      8  N   LIG    1        1.314  -2.137   1.027  0.00  0.00    -0.195 NA
ATOM      9  C   LIG    1       -1.160  -3.421   3.168  0.00  0.00    +0.201 A 
ENDROOT
BRANCH   6  10
ATOM     10  N   LIG    1        2.131  -0.825  -0.758  0.00  0.00    -0.299 N 
ATOM     11  C   LIG    1        3.436  -0.931  -0.100  0.00  0.00    +0.110 C 
ATOM     12  C   LIG    1        4.561  -0.663  -1.094  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1        4.371   0.660  -1.836  0.00  0.00    +0.076 C 
ATOM     14  C   LIG    1        2.988   0.709  -2.484  0.00  0.00    +0.041 C 
ATOM     15  C   LIG    1        1.864   0.412  -1.493  0.00  0.00    +0.110 C 
BRANCH  13  16
ATOM     16  N   LIG    1        4.605   1.816  -0.973  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1        3.840   2.168  -0.412  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1        5.880   2.229  -0.650  0.00  0.00    +0.210 C 
ATOM     19  O   LIG    1        6.898   1.709  -1.091  0.00  0.00    -0.276 OA
ATOM     20  C   LIG    1        5.924   3.377   0.323  0.00  0.00    +0.109 C 
ENDBRANCH  13  16
ENDBRANCH   6  10
BRANCH   1  22
ATOM     21  C   LIG    1        2.011  -3.343   4.374  0.00  0.00    +0.027 C 
ATOM     22  C   LIG    1        1.244  -4.130   3.325  0.00  0.00    +0.121 C 
ENDBRANCH   1  22
BRANCH   4  23
ATOM     23  N   LIG    1       -2.537  -0.614   0.209  0.00  0.00    -0.320 N 
ATOM     24  H   LIG    1       -3.138  -0.781   1.017  0.00  0.00    +0.148 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -2.525   0.779  -0.222  0.00  0.00    +0.177 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.882   1.273  -0.618  0.00  0.00    +0.125 A 
ATOM     27  N   LIG    1       -4.726   0.495  -1.374  0.00  0.00    -0.341 N 
ATOM     28  H   LIG    1       -4.512  -0.443  -1.688  0.00  0.00    +0.167 HD
ATOM     29  C   LIG    1       -5.885   1.195  -1.581  0.00  0.00    +0.068 A 
ATOM     30  C   LIG    1       -5.679   2.401  -0.921  0.00  0.00    +0.091 A 
ATOM     31  C   LIG    1       -6.688   3.373  -0.931  0.00  0.00    +0.051 A 
ATOM     32  C   LIG    1       -7.882   3.095  -1.612  0.00  0.00    +0.061 A 
ATOM     33  C   LIG    1       -8.066   1.869  -2.269  0.00  0.00    +0.061 A 
ATOM     34 CL   LIG    1       -9.526   1.491  -3.118  0.00  0.00    -0.082 Cl
ATOM     35 CL   LIG    1       -9.102   4.323  -1.600  0.00  0.00    -0.082 Cl
ATOM     36  C   LIG    1       -7.062   0.887  -2.266  0.00  0.00    +0.049 A 
ATOM     37  N   LIG    1       -4.440   2.433  -0.332  0.00  0.00    -0.231 NA
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   4  23
TORSDOF 6