REMARK  Name = LIG000640
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.383  -1.400   0.940  0.00  0.00    -0.285 N 
ATOM      2  H   LIG    1       -0.766  -1.024   0.216  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1       -0.935  -2.559   1.551  0.00  0.00    +0.223 C 
ATOM      4  O   LIG    1       -1.483  -3.153   2.475  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -2.764   0.573   0.557  0.00  0.00    +0.058 A 
ATOM      6  C   LIG    1       -2.540  -0.640   1.239  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -3.502  -1.049   2.157  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1       -4.609  -0.241   2.442  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -4.795   0.972   1.779  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -3.881   1.373   0.815  0.00  0.00    +0.015 A 
BRANCH   5  14
ATOM     11  N   LIG    1       -0.644   1.570   0.110  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        0.181   1.545  -0.498  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1       -0.433   1.423   1.092  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1       -1.792   1.070  -0.429  0.00  0.00    +0.243 C 
ATOM     15  O   LIG    1       -1.988   0.961  -1.630  0.00  0.00    -0.270 OA
ENDBRANCH   5  14
ENDBRANCH   1   6
BRANCH   3  16
ATOM     16  C   LIG    1        0.354  -3.089   0.937  0.00  0.00    +0.152 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.486  -2.146   1.174  0.00  0.00    +0.059 A 
ATOM     18  N   LIG    1        1.783  -1.206   0.197  0.00  0.00    -0.229 NA
ATOM     19  C   LIG    1        2.840  -0.496   0.525  0.00  0.00    +0.164 A 
ATOM     20  S   LIG    1        3.478  -0.876   2.089  0.00  0.00    -0.060 S 
ATOM     21  C   LIG    1        2.309  -2.105   2.279  0.00  0.00    +0.072 A 
BRANCH  19  22
ATOM     22  N   LIG    1        3.467   0.432  -0.223  0.00  0.00    -0.279 N 
ATOM     23  H   LIG    1        4.229   0.941   0.211  0.00  0.00    +0.155 HD
BRANCH  22  24
ATOM     24  C   LIG    1        2.989   1.040  -1.401  0.00  0.00    +0.124 A 
ATOM     25  N   LIG    1        1.669   1.117  -1.662  0.00  0.00    -0.240 NA
ATOM     26  C   LIG    1        1.278   1.655  -2.850  0.00  0.00    +0.113 A 
ATOM     27  C   LIG    1        2.155   2.159  -3.793  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        3.511   2.096  -3.514  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        3.929   1.533  -2.309  0.00  0.00    +0.044 A 
ENDBRANCH  22  24
ENDBRANCH  19  22
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 6