REMARK  Name = LIG001682
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.028  -1.103   0.203  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1        0.972  -0.663   1.019  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1       -0.239  -0.363   0.425  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -1.488   0.116   1.012  0.00  0.00    +0.255 C 
ATOM      5  N   LIG    1       -2.373   0.275  -0.021  0.00  0.00    -0.222 N 
ATOM      6  C   LIG    1       -1.827  -0.122  -1.211  0.00  0.00    +0.254 C 
ATOM      7  O   LIG    1       -2.343  -0.183  -2.311  0.00  0.00    -0.270 OA
ATOM      8  O   LIG    1       -1.655   0.328   2.198  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -0.446  -0.507  -0.930  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1        0.547  -0.967  -1.766  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        1.785  -1.273  -1.182  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1       -3.773   0.610   0.186  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1       -4.612  -0.672   0.144  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -4.161  -1.795   0.363  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -5.958  -0.495  -0.091  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -6.517  -1.338  -0.107  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -6.606   0.661  -0.448  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -7.809   0.663  -0.693  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -5.779   1.926  -0.458  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -4.326   1.633  -0.802  0.00  0.00    +0.041 C 
ENDBRANCH   5  12
BRANCH   1  21
ATOM     21  N   LIG    1        3.225  -1.456   0.816  0.00  0.00    -0.344 N 
ATOM     22  H   LIG    1        3.348  -1.071   1.747  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1        4.471  -1.676   0.092  0.00  0.00    +0.101 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.074  -0.388  -0.474  0.00  0.00    +0.018 C 
BRANCH  24  26
ATOM     25  C   LIG    1        5.101   1.085   1.630  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1        5.906   0.432   0.519  0.00  0.00    -0.002 C 
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 5