REMARK  Name = LIG001333
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.396  -1.696   0.268  0.00  0.00    +0.004 A 
ATOM      2  C   LIG    1       -2.210  -0.949   0.166  0.00  0.00    +0.033 A 
ATOM      3  C   LIG    1       -0.958  -1.501   0.493  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1       -0.944  -2.830   0.939  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -2.123  -3.576   1.061  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -3.351  -3.011   0.731  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1       -5.736   3.079   0.557  0.00  0.00    +0.090 C 
ATOM      8  C   LIG    1       -6.527   1.998  -0.064  0.00  0.00    +0.152 A 
ATOM      9  N   LIG    1       -6.058   0.715  -0.217  0.00  0.00    -0.197 N 
ATOM     10  C   LIG    1       -7.086   0.026  -0.824  0.00  0.00    +0.178 A 
ATOM     11  C   LIG    1       -6.874  -1.336  -1.112  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1       -5.705  -1.900  -0.777  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1       -4.682  -1.038  -0.102  0.00  0.00    +0.092 A 
ATOM     14  N   LIG    1       -8.103   0.834  -1.027  0.00  0.00    -0.128 NA
ATOM     15  N   LIG    1       -4.835   0.229   0.157  0.00  0.00    -0.163 NA
ATOM     16  N   LIG    1       -7.752   2.077  -0.548  0.00  0.00    -0.132 NA
ENDBRANCH   1  13
BRANCH   3  17
ATOM     17  N   LIG    1        0.246  -0.711   0.374  0.00  0.00    -0.271 N 
ATOM     18  C   LIG    1        1.506  -1.304   0.188  0.00  0.00    +0.243 C 
ATOM     19  O   LIG    1        1.752  -2.508   0.209  0.00  0.00    -0.270 OA
ATOM     20  C   LIG    1        0.087   0.747   0.442  0.00  0.00    +0.138 C 
BRANCH  18  21
ATOM     21  C   LIG    1        2.634  -0.374  -0.121  0.00  0.00    +0.068 C 
ATOM     22  C   LIG    1        3.880  -0.696   0.262  0.00  0.00    +0.013 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.057   0.138  -0.006  0.00  0.00    -0.025 A 
ATOM     24  C   LIG    1        5.250   0.787  -1.231  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        6.398   1.554  -1.458  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1        7.385   1.673  -0.468  0.00  0.00    +0.055 A 
ATOM     27  C   LIG    1        7.194   1.016   0.756  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        6.045   0.249   0.979  0.00  0.00    +0.008 A 
BRANCH  26  29
ATOM     29  C   LIG    1        8.612   2.518  -0.704  0.00  0.00    +0.417 C 
ATOM     30  F   LIG    1        8.423   3.816  -0.338  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        9.701   2.088  -0.008  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        8.996   2.551  -2.011  0.00  0.00    -0.166 F 
ENDBRANCH  26  29
ENDBRANCH  22  23
ENDBRANCH  18  21
ENDBRANCH   3  17
TORSDOF 5