REMARK  Name = LIG000041
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.121  -1.064   0.291  0.00  0.00    +0.265 C 
ATOM      2  N   LIG    1        0.773  -0.061  -0.048  0.00  0.00    -0.203 N 
ATOM      3  H   LIG    1        0.441   0.840  -0.373  0.00  0.00    +0.178 HD
ATOM      4  O   LIG    1        0.147  -2.143   0.806  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -1.175  -0.541  -2.466  0.00  0.00    +0.066 C 
ATOM      6  C   LIG    1       -2.025  -0.449  -1.232  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1       -1.532  -0.726   0.037  0.00  0.00    +0.060 A 
ATOM      8  C   LIG    1       -2.409  -0.700   1.120  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1       -3.749  -0.353   0.920  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -4.174  -0.039  -0.390  0.00  0.00    +0.074 A 
ATOM     11  C   LIG    1       -5.515   0.318  -0.582  0.00  0.00    -0.025 A 
ATOM     12  C   LIG    1       -6.410   0.358   0.501  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -5.979   0.044   1.784  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -6.009   0.655  -1.964  0.00  0.00    +0.046 C 
ATOM     15  C   LIG    1       -4.652  -0.311   1.995  0.00  0.00    +0.010 A 
ATOM     16  N   LIG    1       -3.318  -0.085  -1.436  0.00  0.00    -0.251 NA
ENDBRANCH   1   7
BRANCH   2  17
ATOM     17  N   LIG    1        2.106  -0.252   0.152  0.00  0.00    -0.187 NA
ATOM     18  C   LIG    1        2.869   0.748  -0.148  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.334   0.677   0.021  0.00  0.00    -0.003 A 
ATOM     20  C   LIG    1        4.943  -0.481   0.516  0.00  0.00    +0.042 A 
ATOM     21  C   LIG    1        6.335  -0.508   0.661  0.00  0.00    +0.127 A 
ATOM     22  C   LIG    1        7.112   0.609   0.317  0.00  0.00    +0.033 A 
ATOM     23  C   LIG    1        6.492   1.758  -0.177  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1        5.104   1.794  -0.325  0.00  0.00    +0.009 A 
BRANCH  21  25
ATOM     25  N   LIG    1        6.994  -1.714   1.180  0.00  0.00    +0.056 N 
ATOM     26  O   LIG    1        6.282  -2.685   1.466  0.00  0.00    -0.126 OA
ATOM     27  O   LIG    1        8.227  -1.687   1.300  0.00  0.00    -0.126 OA
ENDBRANCH  21  25
ENDBRANCH  18  19
ENDBRANCH   2  17
TORSDOF 4