REMARK  Name = LIG001688
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.872  -0.230   0.197  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1       -1.764   0.048   0.954  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1       -1.710   0.358   2.128  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -0.605  -0.108   0.077  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -1.079  -0.435  -1.178  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1       -0.231  -0.644  -2.244  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1        1.141  -0.514  -2.001  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1        1.639  -0.180  -0.716  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1        0.746   0.026   0.343  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1       -2.537  -0.488  -1.103  0.00  0.00    +0.254 C 
ATOM     11  O   LIG    1       -3.260  -0.707  -2.056  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -8.276   0.716   0.383  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -7.077   0.474   0.476  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -6.137   1.445   0.235  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -6.495   2.336  -0.081  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -4.767   1.303   0.197  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -4.055   2.238  -0.164  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -4.228  -0.044   0.690  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1       -5.191  -1.165   0.311  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -6.558  -0.876   0.915  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   8  21
ATOM     21  N   LIG    1        3.041  -0.083  -0.588  0.00  0.00    -0.281 N 
ATOM     22  H   LIG    1        3.575  -0.234  -1.434  0.00  0.00    +0.155 HD
ATOM     23  C   LIG    1        3.755   0.288   0.538  0.00  0.00    +0.248 C 
ATOM     24  O   LIG    1        3.291   0.652   1.611  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1        5.237   0.267   0.377  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        5.882  -0.719  -0.382  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        7.273  -0.701  -0.507  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        8.020   0.291   0.129  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.382   1.262   0.900  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        5.993   1.248   1.030  0.00  0.00    +0.013 A 
ENDBRANCH  23  25
ENDBRANCH   8  21
TORSDOF 3