REMARK  Name = LIG000616
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.671   0.307   0.538  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        0.170  -0.590  -0.131  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1        1.542  -0.412  -0.020  0.00  0.00    -0.015 A 
ATOM      4  C   LIG    1        2.655  -1.192  -0.634  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1        3.840  -0.556  -0.076  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        3.525   0.577   0.653  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1        4.276   1.407   1.123  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.061   0.638   0.733  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1        1.260   1.545   1.394  0.00  0.00    +0.017 A 
ATOM     10  C   LIG    1       -0.121   1.368   1.289  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        5.176  -0.920  -0.537  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        5.664   0.080  -1.586  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        5.071   0.252  -2.652  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        6.774   0.821  -1.277  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        7.073   1.482  -1.980  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        7.460   0.878  -0.092  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        8.423   1.632   0.034  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        6.972   0.007   1.037  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        6.201  -1.208   0.557  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  O   LIG    1       -2.037   0.286   0.534  0.00  0.00    -0.488 OA
BRANCH  20  26
ATOM     21  N   LIG    1       -5.125   0.019   0.394  0.00  0.00    -0.296 NA
ATOM     22  C   LIG    1       -5.317   0.239  -1.056  0.00  0.00    +0.054 C 
ATOM     23  C   LIG    1       -6.107  -0.925  -1.670  0.00  0.00    +0.024 C 
ATOM     24  C   LIG    1       -3.999   0.493  -1.808  0.00  0.00    +0.022 C 
ATOM     25  C   LIG    1       -2.952  -0.590  -1.555  0.00  0.00    +0.047 C 
ATOM     26  C   LIG    1       -2.729  -0.821  -0.058  0.00  0.00    +0.187 C 
ATOM     27  C   LIG    1       -4.085  -0.996   0.667  0.00  0.00    +0.129 C 
BRANCH  21  29
ATOM     28  C   LIG    1       -4.929   1.177   2.617  0.00  0.00    +0.020 C 
ATOM     29  C   LIG    1       -4.912   1.297   1.096  0.00  0.00    +0.081 C 
ENDBRANCH  21  29
ENDBRANCH  20  26
ENDBRANCH   1  20
TORSDOF 4