REMARK  Name = LIG001041
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.167  -0.085  -0.562  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -0.887  -0.559  -0.797  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -0.291  -1.406  -0.158  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -0.346   0.190  -1.947  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -1.343   1.077  -2.368  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1       -1.123   1.940  -3.427  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.121   1.902  -4.057  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        1.118   1.005  -3.632  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        0.903   0.121  -2.559  0.00  0.00    -0.018 A 
ATOM     10  C   LIG    1       -2.576   0.909  -1.544  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -4.675   2.637   2.440  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -4.205   1.603   1.976  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -4.963   0.781   1.181  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -5.909   1.099   1.013  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -4.507  -0.196   0.329  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -5.221  -0.595  -0.591  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -3.040  -0.619   0.486  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -2.544  -0.263   1.892  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -2.760   1.216   2.173  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   9  20
ATOM     20  C   LIG    1        1.973  -0.859  -2.164  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.283  -0.801  -0.755  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1        1.531  -1.113  -0.145  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        3.576  -0.870  -0.288  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1        4.558  -0.866  -1.024  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1        3.746  -0.989   1.191  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        4.968  -1.471   1.680  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        5.176  -1.603   3.055  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        4.169  -1.242   3.949  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        2.954  -0.750   3.471  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        2.741  -0.621   2.096  0.00  0.00    +0.013 A 
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   9  20
TORSDOF 4