REMARK  Name = LIG000119
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.977  -0.581   0.916  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1        3.652  -0.263   0.574  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1        2.600  -1.173   0.754  0.00  0.00    +0.123 A 
ATOM      4  C   LIG    1        2.865  -2.432   1.282  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        4.171  -2.771   1.628  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        5.213  -1.856   1.446  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1  13
ATOM      7  O   LIG    1        9.247   2.654  -0.244  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1        8.243   2.002   0.026  0.00  0.00    +0.222 C 
ATOM      9  N   LIG    1        8.117   1.339   1.214  0.00  0.00    -0.240 N 
ATOM     10  H   LIG    1        8.931   1.353   1.812  0.00  0.00    +0.159 HD
ATOM     11  C   LIG    1        7.197   0.360   1.511  0.00  0.00    +0.313 C 
ATOM     12  O   LIG    1        7.453  -0.405   2.438  0.00  0.00    -0.252 OA
ATOM     13  N   LIG    1        6.048   0.356   0.712  0.00  0.00    -0.255 N 
ATOM     14  C   LIG    1        5.854   1.484  -0.197  0.00  0.00    +0.124 C 
ATOM     15  C   LIG    1        7.128   1.799  -0.951  0.00  0.00    +0.115 C 
ENDBRANCH   1  13
BRANCH   3  16
ATOM     16  O   LIG    1        1.373  -0.700   0.377  0.00  0.00    -0.487 OA
BRANCH  16  17
ATOM     17  C   LIG    1        0.258  -1.573   0.546  0.00  0.00    +0.264 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -0.985  -0.842   0.101  0.00  0.00    -0.010 A 
ATOM     19  C   LIG    1       -1.625  -1.179  -1.098  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -2.775  -0.495  -1.503  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -3.304   0.540  -0.720  0.00  0.00    -0.033 A 
ATOM     22  C   LIG    1       -2.657   0.883   0.474  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -1.508   0.200   0.879  0.00  0.00    +0.007 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -4.544   1.284  -1.169  0.00  0.00    +0.119 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -5.724   0.417  -1.318  0.00  0.00    -0.294 NA
ATOM     26  C   LIG    1       -6.856   1.137  -1.939  0.00  0.00    +0.113 C 
ATOM     27  C   LIG    1       -7.900   1.629  -0.925  0.00  0.00    +0.175 C 
ATOM     28  O   LIG    1       -8.484   0.569  -0.157  0.00  0.00    -0.377 OA
ATOM     29  C   LIG    1       -7.616  -0.564  -0.012  0.00  0.00    +0.175 C 
ATOM     30  C   LIG    1       -6.131  -0.174  -0.022  0.00  0.00    +0.113 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 6