REMARK  Name = LIG000964
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.771  -0.795   0.750  0.00  0.00    +0.126 A 
ATOM      2  C   LIG    1       -3.030  -0.840   0.176  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1       -3.827   0.257  -0.445  0.00  0.00    +0.148 C 
ATOM      4  N   LIG    1       -5.100  -0.397  -0.749  0.00  0.00    -0.281 N 
ATOM      5  C   LIG    1       -5.018  -1.771  -0.560  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1       -5.828  -2.624  -0.863  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -3.730  -2.040   0.087  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1       -3.223  -3.237   0.550  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -1.956  -3.208   1.128  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -1.236  -1.998   1.228  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -6.144   0.228  -1.567  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -5.951   1.745  -1.716  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -5.096   2.240  -2.449  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -6.679   2.548  -0.870  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -6.473   3.537  -0.916  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -7.473   2.155   0.177  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -7.881   2.973   0.998  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -7.758   0.679   0.298  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -7.560  -0.028  -1.034  0.00  0.00    +0.041 C 
ENDBRANCH   4  11
BRANCH   1  20
ATOM     20  O   LIG    1       -1.179   0.431   0.775  0.00  0.00    -0.492 OA
BRANCH  20  21
ATOM     21  C   LIG    1        0.068   0.583   1.455  0.00  0.00    +0.229 C 
BRANCH  21  22
ATOM     22  C   LIG    1        1.237   0.301   0.515  0.00  0.00    +0.050 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.576   0.552   1.202  0.00  0.00    +0.099 C 
BRANCH  23  26
ATOM     24  N   LIG    1        4.962   0.541   0.919  0.00  0.00    -0.285 N 
ATOM     25  H   LIG    1        4.907   0.911   1.860  0.00  0.00    +0.155 HD
ATOM     26  C   LIG    1        3.759   0.249   0.295  0.00  0.00    +0.217 C 
ATOM     27  O   LIG    1        3.614  -0.204  -0.834  0.00  0.00    -0.275 OA
BRANCH  24  33
ATOM     28  C   LIG    1       10.339  -0.008  -1.022  0.00  0.00    +0.045 C 
ATOM     29  C   LIG    1        8.934   0.137  -0.511  0.00  0.00    -0.032 A 
ATOM     30  C   LIG    1        8.654   0.628   0.770  0.00  0.00    +0.046 A 
ATOM     31 CL   LIG    1        9.917   1.101   1.852  0.00  0.00    -0.083 Cl
ATOM     32  C   LIG    1        7.333   0.752   1.217  0.00  0.00    +0.043 A 
ATOM     33  C   LIG    1        6.263   0.387   0.394  0.00  0.00    +0.035 A 
ATOM     34  C   LIG    1        6.537  -0.103  -0.883  0.00  0.00    +0.023 A 
ATOM     35  C   LIG    1        7.858  -0.226  -1.331  0.00  0.00    +0.006 A 
ENDBRANCH  24  33
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 7