REMARK  Name = LIG001842
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.294  -0.979   0.373  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -1.184   0.110   0.325  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -2.545  -0.132   0.429  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1       -3.689   0.828   0.407  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1       -4.839  -0.048   0.592  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -4.480  -1.385   0.649  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1       -5.214  -2.352   0.707  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -3.016  -1.433   0.578  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -2.175  -2.525   0.621  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -0.799  -2.287   0.516  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -6.227   0.379   0.435  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -6.550   1.775   0.993  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -5.840   2.387   1.788  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -7.736   2.328   0.567  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -7.937   3.250   0.930  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -8.457   1.972  -0.544  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -9.332   2.706  -0.992  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -8.133   0.631  -1.156  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -6.652   0.314  -1.033  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  21
ATOM     20  C   LIG    1        2.142  -1.562   0.358  0.00  0.00    +0.248 C 
ATOM     21  N   LIG    1        1.081  -0.680   0.261  0.00  0.00    -0.281 N 
ATOM     22  H   LIG    1        1.309   0.302   0.171  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1        2.086  -2.756   0.625  0.00  0.00    -0.270 OA
BRANCH  20  29
ATOM     24  C   LIG    1        8.310   0.222   0.345  0.00  0.00    +0.215 A 
ATOM     25  N   LIG    1        7.276   0.699  -0.382  0.00  0.00    -0.213 NA
ATOM     26  C   LIG    1        6.069   0.143  -0.192  0.00  0.00    +0.075 A 
ATOM     27  C   LIG    1        5.850  -0.903   0.730  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        4.565  -1.448   0.894  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1        3.487  -0.953   0.153  0.00  0.00    +0.038 A 
ATOM     30  C   LIG    1        3.703   0.068  -0.774  0.00  0.00    +0.015 A 
ATOM     31  C   LIG    1        6.946  -1.371   1.465  0.00  0.00    +0.015 A 
ATOM     32  C   LIG    1        4.987   0.605  -0.930  0.00  0.00    +0.029 A 
ATOM     33  C   LIG    1        8.197  -0.800   1.270  0.00  0.00    +0.068 A 
BRANCH  24  35
ATOM     34  C   LIG    1        9.619   1.795  -0.790  0.00  0.00    +0.279 C 
ATOM     35  O   LIG    1        9.572   0.760   0.186  0.00  0.00    -0.480 OA
ENDBRANCH  24  35
ENDBRANCH  20  29
ENDBRANCH   1  21
TORSDOF 4