REMARK  Name = LIG000914
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.670  -0.225  -1.126  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -3.131   0.236  -2.320  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -3.526   0.035  -3.452  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.949   1.032  -1.974  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -1.842   1.069  -0.587  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1       -0.804   1.758   0.015  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        0.131   2.420  -0.804  0.00  0.00    -0.030 A 
ATOM      8  C   LIG    1        0.002   2.363  -2.213  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -1.050   1.666  -2.810  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -2.961   0.301   0.034  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -7.038  -1.305   2.520  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -6.472  -1.272   1.431  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -6.889  -0.419   0.446  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -7.596   0.231   0.767  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -6.043   0.100  -0.499  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -6.136   1.281  -0.827  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -4.983  -0.863  -1.061  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -4.965  -2.209  -0.334  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -5.218  -2.065   1.156  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  C   LIG    1        1.291   3.153  -0.176  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.387   2.249   0.077  0.00  0.00    -0.305 N 
ATOM     22  H   LIG    1        2.930   1.921  -0.711  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        2.552   1.624   1.289  0.00  0.00    +0.280 C 
ATOM     24  O   LIG    1        1.862   1.848   2.276  0.00  0.00    -0.267 OA
BRANCH  23  25
ATOM     25  C   LIG    1        3.658   0.613   1.289  0.00  0.00    +0.193 A 
ATOM     26  O   LIG    1        4.359   0.421   0.107  0.00  0.00    -0.450 OA
ATOM     27  C   LIG    1        5.370  -0.506   0.099  0.00  0.00    +0.139 A 
ATOM     28  C   LIG    1        5.718  -1.256   1.220  0.00  0.00    +0.064 A 
ATOM     29  C   LIG    1        6.758  -2.187   1.156  0.00  0.00    +0.015 A 
ATOM     30  C   LIG    1        7.451  -2.365  -0.042  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        7.103  -1.614  -1.168  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        4.970  -1.048   2.469  0.00  0.00    +0.193 A 
ATOM     33  O   LIG    1        5.218  -1.672   3.492  0.00  0.00    -0.287 OA
ATOM     34  C   LIG    1        6.063  -0.684  -1.099  0.00  0.00    +0.047 A 
ATOM     35  C   LIG    1        3.897  -0.044   2.432  0.00  0.00    +0.103 A 
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 4