REMARK  Name = LIG001268
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.085   0.456   0.212  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -3.737   0.824   1.503  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -4.416   0.787   2.511  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -2.340   1.269   1.455  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -1.868   1.074   0.160  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1       -0.564   1.404  -0.165  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        0.265   1.944   0.837  0.00  0.00    -0.030 A 
ATOM      8  C   LIG    1       -0.236   2.123   2.149  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -1.554   1.785   2.467  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -2.938   0.471  -0.685  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -8.712  -2.526   0.461  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -7.714  -1.820   0.350  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -6.456  -2.341   0.525  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -6.413  -3.318   0.779  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -5.246  -1.726   0.298  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -4.202  -2.375   0.346  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -5.311  -0.253  -0.138  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -6.580   0.410   0.399  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -7.795  -0.372  -0.073  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  C   LIG    1        1.701   2.284   0.521  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.543   1.122   0.641  0.00  0.00    -0.306 N 
ATOM     22  H   LIG    1        2.710   0.721   1.559  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        2.832   0.310  -0.430  0.00  0.00    +0.262 C 
ATOM     24  O   LIG    1        2.533   0.530  -1.594  0.00  0.00    -0.269 OA
BRANCH  23  25
ATOM     25  C   LIG    1        3.578  -0.968  -0.046  0.00  0.00    +0.145 C 
ATOM     26  N   LIG    1        3.519  -1.337   1.206  0.00  0.00    -0.087 NA
BRANCH  26  27
ATOM     27  O   LIG    1        4.249  -2.509   1.434  0.00  0.00    -0.409 OA
ATOM     28  H   LIG    1        4.077  -2.691   2.378  0.00  0.00    +0.328 HD
ENDBRANCH  26  27
BRANCH  25  29
ATOM     29  C   LIG    1        4.332  -1.661  -1.159  0.00  0.00    +0.099 C 
BRANCH  29  30
ATOM     30  C   LIG    1        5.659  -0.997  -1.441  0.00  0.00    -0.041 A 
ATOM     31  C   LIG    1        5.774  -0.038  -2.458  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        6.997   0.591  -2.703  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1        8.110   0.266  -1.930  0.00  0.00    +0.041 A 
ATOM     34 CL   LIG    1        9.616   1.042  -2.231  0.00  0.00    -0.084 Cl
ATOM     35  C   LIG    1        8.009  -0.681  -0.913  0.00  0.00    +0.020 A 
ATOM     36  C   LIG    1        6.787  -1.309  -0.668  0.00  0.00    +0.005 A 
ENDBRANCH  29  30
ENDBRANCH  25  29
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 7