REMARK  Name = LIG001261
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.722   0.177  -0.362  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -0.814   1.204  -0.276  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1        0.550   1.031  -0.762  0.00  0.00    +0.164 C 
ATOM      4  C   LIG    1        1.055   2.448  -1.008  0.00  0.00    +0.065 C 
ATOM      5  C   LIG    1        0.301   3.271   0.035  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -1.069   2.590   0.083  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1       -1.410  -0.905  -0.875  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.418   0.334   0.304  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        2.480  -0.377  -0.214  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1        2.481  -0.592  -1.203  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        1.227   0.465   1.512  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        3.363  -1.154   0.638  0.00  0.00    +0.100 C 
ATOM     13  C   LIG    1        2.689  -2.449   1.103  0.00  0.00    +0.033 C 
BRANCH  12  14
ATOM     14  C   LIG    1        4.676  -1.388  -0.091  0.00  0.00    -0.027 A 
ATOM     15  C   LIG    1        5.775  -0.558   0.188  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1        6.990  -0.728  -0.482  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        7.114  -1.725  -1.445  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1        8.608  -1.935  -2.272  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1        6.034  -2.550  -1.747  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        4.818  -2.378  -1.077  0.00  0.00    +0.007 A 
ENDBRANCH  12  14
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   5  21
ATOM     21  O   LIG    1        0.233   4.626  -0.374  0.00  0.00    -0.390 OA
ATOM     22  H   LIG    1       -0.278   5.113   0.296  0.00  0.00    +0.210 HD
ENDBRANCH   5  21
BRANCH   1  23
ATOM     23  C   LIG    1       -3.151   0.402   0.196  0.00  0.00    +0.164 C 
BRANCH  23  26
ATOM     24  C   LIG    1       -5.229  -0.013  -2.949  0.00  0.00    +0.109 C 
ATOM     25  C   LIG    1       -4.503   0.705  -1.844  0.00  0.00    +0.211 C 
ATOM     26  N   LIG    1       -4.052  -0.120  -0.838  0.00  0.00    -0.304 N 
ATOM     27  H   LIG    1       -3.887  -1.087  -1.098  0.00  0.00    +0.149 HD
ATOM     28  O   LIG    1       -4.329   1.919  -1.857  0.00  0.00    -0.276 OA
ENDBRANCH  23  26
BRANCH  23  29
ATOM     29  C   LIG    1       -3.391  -0.280   1.581  0.00  0.00    -0.011 C 
ATOM     30  C   LIG    1       -4.847  -0.021   2.027  0.00  0.00    +0.013 C 
ATOM     31  C   LIG    1       -3.162  -1.804   1.551  0.00  0.00    +0.013 C 
ATOM     32  C   LIG    1       -2.461   0.327   2.649  0.00  0.00    +0.013 C 
ENDBRANCH  23  29
ENDBRANCH   1  23
TORSDOF 7