REMARK  Name = LIG001639
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.112   0.029  -0.752  0.00  0.00    +0.031 A 
ATOM      2  C   LIG    1        1.276   0.329   0.332  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1       -0.125   0.217   0.247  0.00  0.00    +0.134 A 
ATOM      4  C   LIG    1       -0.712  -0.204  -0.961  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        0.118  -0.460  -2.062  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1        1.505  -0.328  -1.960  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.186  -0.382  -1.185  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1       -3.016  -0.290  -0.094  0.00  0.00    -0.300 N 
ATOM      9  H   LIG    1       -2.614   0.047   0.781  0.00  0.00    +0.150 HD
ATOM     10  O   LIG    1       -2.623  -0.606  -2.311  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1       -4.462  -0.289  -0.216  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1       -5.077   0.267   1.074  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -4.441   0.919   1.902  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -6.414   0.011   1.259  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -6.808   0.368   2.119  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -7.134  -0.995   0.668  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -8.225  -1.336   1.115  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -6.531  -1.625  -0.565  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -5.015  -1.688  -0.467  0.00  0.00    +0.041 C 
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  N   LIG    1        3.500   0.197  -0.734  0.00  0.00    -0.344 N 
ATOM     21  H   LIG    1        3.956  -0.386  -1.434  0.00  0.00    +0.146 HD
BRANCH  20  22
ATOM     22  C   LIG    1        4.220   0.232   0.535  0.00  0.00    +0.101 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.729   0.310   0.289  0.00  0.00    +0.018 C 
BRANCH  23  25
ATOM     24  C   LIG    1        7.662   1.704  -0.533  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1        6.154   1.636  -0.347  0.00  0.00    -0.002 C 
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  20
BRANCH   3  26
ATOM     26  O   LIG    1       -0.960   0.487   1.304  0.00  0.00    -0.494 OA
ATOM     27  C   LIG    1       -0.438   1.257   2.382  0.00  0.00    +0.277 C 
ENDBRANCH   3  26
TORSDOF 7