REMARK  Name = LIG000652
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.544  -0.011  -1.036  0.00  0.00    -0.281 N 
ATOM      2  C   LIG    1        3.887  -0.692  -2.053  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        4.361  -1.154  -3.073  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.472  -0.760  -1.675  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        1.399  -1.292  -2.382  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1        0.130  -1.227  -1.798  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1       -0.005  -0.646  -0.533  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1       -1.236  -0.397   0.288  0.00  0.00    +0.033 C 
ATOM      9  C   LIG    1       -1.952   0.872  -0.232  0.00  0.00    +0.018 C 
ATOM     10  C   LIG    1       -3.392   0.943   0.263  0.00  0.00    +0.045 C 
ATOM     11  C   LIG    1       -4.241  -0.243  -0.228  0.00  0.00    +0.174 C 
ATOM     12  C   LIG    1       -3.384  -1.483  -0.542  0.00  0.00    +0.045 C 
ATOM     13  C   LIG    1       -2.192  -1.601   0.408  0.00  0.00    +0.018 C 
ATOM     14  C   LIG    1       -0.520  -0.135   1.639  0.00  0.00    +0.240 C 
ATOM     15  O   LIG    1        0.804   0.390   1.373  0.00  0.00    -0.490 OA
ATOM     16  C   LIG    1        1.100  -0.139   0.149  0.00  0.00    +0.130 A 
ATOM     17  C   LIG    1        2.343  -0.180  -0.416  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        3.661   0.273   0.092  0.00  0.00    +0.148 C 
ENDROOT
BRANCH   1  25
ATOM     19  O   LIG    1        9.630   0.291   0.987  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        8.590   0.205   0.342  0.00  0.00    +0.219 C 
ATOM     21  N   LIG    1        7.878  -0.967   0.298  0.00  0.00    -0.255 N 
ATOM     22  H   LIG    1        8.232  -1.700   0.898  0.00  0.00    +0.158 HD
ATOM     23  C   LIG    1        6.553  -1.097  -0.052  0.00  0.00    +0.240 C 
ATOM     24  O   LIG    1        5.899  -2.058   0.347  0.00  0.00    -0.273 OA
ATOM     25  C   LIG    1        5.998   0.025  -0.947  0.00  0.00    +0.163 C 
ATOM     26  C   LIG    1        6.517   1.367  -0.440  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1        8.038   1.361  -0.460  0.00  0.00    +0.098 C 
ENDBRANCH   1  25
BRANCH  11  28
ATOM     28  O   LIG    1       -5.159  -0.626   0.805  0.00  0.00    -0.489 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -6.346   0.038   0.929  0.00  0.00    +0.121 A 
ATOM     30  C   LIG    1       -6.774   1.129   0.172  0.00  0.00    +0.045 A 
ATOM     31  C   LIG    1       -8.021   1.711   0.419  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -8.847   1.208   1.423  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -8.426   0.121   2.184  0.00  0.00    +0.004 A 
ATOM     34  C   LIG    1       -7.180  -0.459   1.936  0.00  0.00    +0.045 A 
ENDBRANCH  28  29
ENDBRANCH  11  28
TORSDOF 3