REMARK  Name = LIG000199
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.147   0.027   1.520  0.00  0.00    +0.030 A 
ATOM      2  C   LIG    1        0.285   0.003   0.409  0.00  0.00    +0.037 A 
ATOM      3  C   LIG    1       -1.081  -0.072   0.621  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -2.184  -0.096  -0.336  0.00  0.00    +0.255 C 
ATOM      5  N   LIG    1       -3.336  -0.206   0.395  0.00  0.00    -0.222 N 
ATOM      6  C   LIG    1       -3.078  -0.183   1.739  0.00  0.00    +0.254 C 
ATOM      7  O   LIG    1       -3.863  -0.213   2.667  0.00  0.00    -0.270 OA
ATOM      8  O   LIG    1       -2.046  -0.012  -1.541  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -1.626  -0.120   1.885  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1       -0.836  -0.097   3.010  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        0.551  -0.025   2.812  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1       -4.682  -0.127  -0.150  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1       -4.984   1.323  -0.546  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -4.404   2.298  -0.072  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -6.019   1.493  -1.438  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -6.230   2.449  -1.691  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -6.704   0.525  -2.130  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -7.569   0.823  -2.948  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -6.382  -0.911  -1.784  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -4.936  -1.059  -1.332  0.00  0.00    +0.041 C 
ENDBRANCH   5  12
BRANCH   1  22
ATOM     21  C   LIG    1        3.301   0.801   2.406  0.00  0.00    +0.129 C 
ATOM     22  N   LIG    1        2.533   0.100   1.378  0.00  0.00    -0.330 N 
BRANCH  22  23
ATOM     23  C   LIG    1        3.209  -0.329   0.138  0.00  0.00    +0.073 C 
ATOM     24  C   LIG    1        4.436  -1.209   0.448  0.00  0.00    +0.022 C 
ATOM     25  C   LIG    1        5.258  -1.445  -0.814  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1        5.765  -0.142  -1.435  0.00  0.00    +0.000 C 
ATOM     27  C   LIG    1        5.036   1.106  -0.941  0.00  0.00    +0.002 C 
ATOM     28  C   LIG    1        3.538   0.873  -0.769  0.00  0.00    +0.022 C 
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 3