REMARK  Name = LIG001984
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.785  -0.037   1.202  0.00  0.00    +0.033 A 
ATOM      2  C   LIG    1       -2.184  -0.048   1.065  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -2.790  -1.215   0.643  0.00  0.00    +0.072 A 
ATOM      4  N   LIG    1       -4.143  -1.507   0.422  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -4.255  -2.834  -0.051  0.00  0.00    +0.330 A 
ATOM      6  N   LIG    1       -2.944  -3.355  -0.070  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1       -2.577  -4.672  -0.499  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -5.280  -3.407  -0.385  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -2.051  -2.360   0.345  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1       -0.680  -2.386   0.463  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -0.052  -1.209   0.893  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1       -0.167   1.169   1.591  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1       -0.706   1.688   2.282  0.00  0.00    +0.152 HD
BRANCH  12  19
ATOM     14  C   LIG    1        3.314   1.676   0.314  0.00  0.00    +0.123 A 
ATOM     15  N   LIG    1        3.830   2.475   1.273  0.00  0.00    -0.239 NA
ATOM     16  C   LIG    1        3.043   2.836   2.314  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        1.729   2.438   2.463  0.00  0.00    +0.080 A 
ATOM     18 CL   LIG    1        0.827   2.958   3.837  0.00  0.00    -0.080 Cl
ATOM     19  C   LIG    1        1.168   1.619   1.482  0.00  0.00    +0.055 A 
ATOM     20  C   LIG    1        1.981   1.260   0.397  0.00  0.00    +0.068 A 
BRANCH  14  24
ATOM     21  C   LIG    1        7.858   1.735  -0.114  0.00  0.00    +0.009 C 
ATOM     22  C   LIG    1        6.457   1.141   0.023  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1        5.448   1.930  -0.830  0.00  0.00    +0.109 C 
ATOM     24  N   LIG    1        4.111   1.316  -0.778  0.00  0.00    -0.315 N 
ATOM     25  C   LIG    1        4.091  -0.088  -1.209  0.00  0.00    +0.109 C 
ATOM     26  C   LIG    1        5.036  -0.931  -0.336  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1        5.041  -2.387  -0.798  0.00  0.00    +0.009 C 
ATOM     28  C   LIG    1        6.457  -0.345  -0.373  0.00  0.00    +0.009 C 
ENDBRANCH  14  24
ENDBRANCH  12  19
ENDBRANCH   1  12
BRANCH   4  29
ATOM     29  C   LIG    1       -5.238  -0.574   0.538  0.00  0.00    +0.130 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -5.443   0.220  -0.755  0.00  0.00    +0.056 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -6.547   1.288  -0.663  0.00  0.00    +0.062 C 
ATOM     32  C   LIG    1       -6.604   2.082  -1.972  0.00  0.00    +0.041 C 
ATOM     33  C   LIG    1       -7.920   0.687  -0.356  0.00  0.00    +0.041 C 
BRANCH  31  34
ATOM     34  O   LIG    1       -6.205   2.194   0.390  0.00  0.00    -0.389 OA
ATOM     35  H   LIG    1       -6.884   2.890   0.416  0.00  0.00    +0.210 HD
ENDBRANCH  31  34
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH   4  29
TORSDOF 7