REMARK  Name = LIG001299
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.133   0.278   1.560  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.914  -0.257   0.520  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1        2.288  -0.083   0.557  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1        3.334  -0.530  -0.409  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1        4.568  -0.100   0.235  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        4.326   0.649   1.379  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1        5.135   1.228   2.078  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.877   0.617   1.606  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1        2.143   1.162   2.639  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        0.755   0.985   2.609  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        5.865  -0.092  -0.431  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        5.927   0.928  -1.580  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        5.073   1.783  -1.800  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        7.029   0.821  -2.398  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        7.051   1.484  -3.162  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        7.738  -0.330  -2.627  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        8.416  -0.465  -3.641  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        7.650  -1.401  -1.565  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        6.251  -1.467  -0.969  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  21
ATOM     20  C   LIG    1       -2.222   0.446   2.392  0.00  0.00    +0.248 C 
ATOM     21  N   LIG    1       -1.261   0.077   1.474  0.00  0.00    -0.282 N 
ATOM     22  H   LIG    1       -1.585  -0.431   0.661  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1       -2.042   0.949   3.494  0.00  0.00    -0.270 OA
BRANCH  20  27
ATOM     24  C   LIG    1       -6.041   0.262  -0.809  0.00  0.00    +0.131 A 
ATOM     25  C   LIG    1       -5.440  -0.053   0.427  0.00  0.00    +0.059 A 
ATOM     26  C   LIG    1       -4.046   0.289   0.723  0.00  0.00    +0.027 C 
ATOM     27  C   LIG    1       -3.607   0.096   1.974  0.00  0.00    +0.052 C 
ATOM     28  C   LIG    1       -4.504  -0.406   3.063  0.00  0.00    +0.269 C 
ATOM     29  O   LIG    1       -5.669  -1.118   2.613  0.00  0.00    -0.486 OA
ATOM     30  C   LIG    1       -6.181  -0.742   1.399  0.00  0.00    +0.132 A 
ATOM     31  C   LIG    1       -7.494  -1.131   1.146  0.00  0.00    +0.046 A 
ATOM     32  C   LIG    1       -8.089  -0.817  -0.072  0.00  0.00    +0.007 A 
ATOM     33  C   LIG    1       -7.367  -0.122  -1.046  0.00  0.00    +0.046 A 
BRANCH  24  35
ATOM     34  C   LIG    1       -5.874   1.368  -2.921  0.00  0.00    +0.277 C 
ATOM     35  O   LIG    1       -5.256   0.930  -1.718  0.00  0.00    -0.494 OA
ENDBRANCH  24  35
ENDBRANCH  20  27
ENDBRANCH   1  21
TORSDOF 4