REMARK  Name = LIG000607
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.539  -1.147   1.185  0.00  0.00    +0.004 A 
ATOM      2  C   LIG    1        0.387  -0.916   0.159  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        1.633  -0.445   0.523  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        2.784  -0.089  -0.304  0.00  0.00    +0.255 C 
ATOM      5  N   LIG    1        3.781   0.291   0.552  0.00  0.00    -0.222 N 
ATOM      6  C   LIG    1        3.352   0.287   1.853  0.00  0.00    +0.254 C 
ATOM      7  O   LIG    1        3.954   0.622   2.855  0.00  0.00    -0.270 OA
ATOM      8  O   LIG    1        2.780  -0.115  -1.519  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        1.979  -0.213   1.841  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1        1.100  -0.447   2.878  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -0.170  -0.926   2.537  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  20
ATOM     12  C   LIG    1       -2.758  -1.147  -0.057  0.00  0.00    +0.131 A 
ATOM     13  N   LIG    1       -3.842  -2.014   0.007  0.00  0.00    -0.288 N 
ATOM     14  C   LIG    1       -3.608  -2.877   1.075  0.00  0.00    +0.140 A 
ATOM     15  C   LIG    1       -4.617  -3.837   1.373  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1       -5.723  -3.908   0.607  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1       -5.917  -3.023  -0.530  0.00  0.00    +0.018 A 
ATOM     18  N   LIG    1       -2.434  -2.661   1.627  0.00  0.00    -0.226 NA
ATOM     19  C   LIG    1       -4.978  -2.101  -0.803  0.00  0.00    +0.094 A 
ATOM     20  C   LIG    1       -1.873  -1.640   0.895  0.00  0.00    +0.112 A 
BRANCH  12  21
ATOM     21  N   LIG    1       -2.694  -0.122  -0.973  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1       -1.755   0.008  -1.352  0.00  0.00    +0.148 HD
BRANCH  21  24
ATOM     23  C   LIG    1       -3.169   2.080  -1.884  0.00  0.00    +0.031 C 
ATOM     24  C   LIG    1       -3.186   1.235  -0.595  0.00  0.00    +0.025 C 
ATOM     25  C   LIG    1       -2.244   1.885   0.431  0.00  0.00    +0.031 C 
ATOM     26  C   LIG    1       -4.619   1.219  -0.047  0.00  0.00    +0.031 C 
ENDBRANCH  21  24
ENDBRANCH  12  21
ENDBRANCH   1  20
BRANCH   5  27
ATOM     27  C   LIG    1        5.052   0.871   0.146  0.00  0.00    +0.171 C 
ATOM     28  C   LIG    1        4.818   2.301  -0.353  0.00  0.00    +0.240 C 
ATOM     29  O   LIG    1        3.837   2.981  -0.055  0.00  0.00    -0.273 OA
ATOM     30  N   LIG    1        5.824   2.831  -1.131  0.00  0.00    -0.255 N 
ATOM     31  H   LIG    1        5.678   3.778  -1.454  0.00  0.00    +0.158 HD
ATOM     32  C   LIG    1        6.909   2.179  -1.662  0.00  0.00    +0.219 C 
ATOM     33  O   LIG    1        7.685   2.755  -2.418  0.00  0.00    -0.275 OA
ATOM     34  C   LIG    1        7.124   0.750  -1.218  0.00  0.00    +0.098 C 
ATOM     35  C   LIG    1        5.802   0.063  -0.909  0.00  0.00    +0.041 C 
ENDBRANCH   5  27
TORSDOF 4