REMARK  Name = LIG002001
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.090   0.366   0.731  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        2.192   0.352   1.788  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        2.294  -0.223   2.853  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        1.051   1.181   1.385  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        1.267   1.609   0.077  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1        0.332   2.407  -0.559  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -0.825   2.760   0.146  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -1.028   2.323   1.470  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1       -0.079   1.518   2.105  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        2.558   1.063  -0.434  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        7.026  -2.901  -1.233  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        6.219  -2.237  -0.591  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        4.918  -2.648  -0.446  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        4.676  -3.475  -0.978  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        3.852  -1.841  -0.123  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        2.713  -2.148  -0.467  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        4.209  -0.568   0.663  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        5.458   0.059   0.051  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        6.599  -0.946   0.097  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  N   LIG    1       -1.834   3.547  -0.471  0.00  0.00    -0.216 N 
ATOM     21  H   LIG    1       -2.434   4.117   0.123  0.00  0.00    +0.174 HD
BRANCH  20  22
ATOM     22  S   LIG    1       -2.659   2.945  -1.817  0.00  0.00    +0.072 S 
ATOM     23  O   LIG    1       -1.716   2.670  -2.879  0.00  0.00    -0.150 OA
ATOM     24  O   LIG    1       -3.787   3.830  -2.023  0.00  0.00    -0.150 OA
BRANCH  22  25
ATOM     25  C   LIG    1       -3.304   1.393  -1.230  0.00  0.00    +0.109 A 
ATOM     26  C   LIG    1       -4.534   1.366  -0.567  0.00  0.00    +0.031 A 
ATOM     27  C   LIG    1       -5.056   0.147  -0.120  0.00  0.00    +0.030 A 
ATOM     28  C   LIG    1       -4.351  -1.045  -0.347  0.00  0.00    +0.067 A 
ATOM     29  C   LIG    1       -3.122  -1.006  -1.027  0.00  0.00    +0.030 A 
ATOM     30  C   LIG    1       -2.602   0.210  -1.476  0.00  0.00    +0.031 A 
BRANCH  28  31
ATOM     31  N   LIG    1       -4.865  -2.293   0.094  0.00  0.00    -0.220 N 
ATOM     32  N   LIG    1       -4.203  -3.457  -0.120  0.00  0.00    -0.061 NA
ATOM     33  N   LIG    1       -4.913  -4.450   0.396  0.00  0.00    -0.138 NA
ATOM     34  C   LIG    1       -6.038  -3.920   0.944  0.00  0.00    +0.156 A 
ATOM     35  C   LIG    1       -6.036  -2.558   0.769  0.00  0.00    +0.136 A 
ENDBRANCH  28  31
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   7  20
TORSDOF 5