REMARK  Name = LIG001644
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.829  -0.821  -0.778  0.00  0.00    +0.152 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -2.783  -0.595  -0.483  0.00  0.00    +0.164 A 
ATOM      3  S   LIG    1       -2.942  -1.351  -2.025  0.00  0.00    -0.060 S 
ATOM      4  C   LIG    1       -1.246  -1.450  -2.179  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -0.639  -0.909  -1.065  0.00  0.00    +0.059 A 
ATOM      6  N   LIG    1       -1.528  -0.456  -0.101  0.00  0.00    -0.229 NA
BRANCH   2   7
ATOM      7  N   LIG    1       -3.780  -0.206   0.336  0.00  0.00    -0.279 N 
ATOM      8  H   LIG    1       -3.500   0.008   1.286  0.00  0.00    +0.155 HD
BRANCH   7  12
ATOM      9  C   LIG    1       -7.725   0.238   2.898  0.00  0.00    +0.065 C 
ATOM     10  C   LIG    1       -7.116   0.031   1.544  0.00  0.00    +0.040 A 
ATOM     11  N   LIG    1       -5.763  -0.001   1.470  0.00  0.00    -0.237 NA
ATOM     12  C   LIG    1       -5.165  -0.194   0.270  0.00  0.00    +0.125 A 
ATOM     13  C   LIG    1       -5.925  -0.332  -0.883  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1       -7.318  -0.296  -0.802  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -7.927  -0.117   0.429  0.00  0.00    +0.023 A 
ENDBRANCH   7  12
ENDBRANCH   2   7
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  C   LIG    1        1.605  -0.004  -1.795  0.00  0.00    +0.224 C 
ATOM     17  N   LIG    1        2.898   0.370  -1.592  0.00  0.00    -0.264 N 
ATOM     18  H   LIG    1        3.257   0.969  -2.326  0.00  0.00    +0.157 HD
ATOM     19  O   LIG    1        1.100   0.354  -2.866  0.00  0.00    -0.275 OA
BRANCH  17  20
ATOM     20  C   LIG    1        3.835   0.098  -0.633  0.00  0.00    +0.165 A 
ATOM     21  S   LIG    1        3.605  -0.993   0.651  0.00  0.00    -0.060 S 
ATOM     22  C   LIG    1        5.193  -0.683   1.206  0.00  0.00    +0.080 A 
ATOM     23  C   LIG    1        5.797   0.224   0.364  0.00  0.00    +0.115 A 
ATOM     24  N   LIG    1        5.019   0.662  -0.692  0.00  0.00    -0.221 NA
BRANCH  23  25
ATOM     25  C   LIG    1        7.256   0.722   0.581  0.00  0.00    +0.153 A 
ATOM     26  O   LIG    1        8.073   0.324   1.601  0.00  0.00    -0.461 OA
ATOM     27  C   LIG    1        9.254   0.976   1.446  0.00  0.00    +0.196 A 
ATOM     28  C   LIG    1        9.213   1.790   0.339  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        7.923   1.627  -0.221  0.00  0.00    +0.051 A 
ENDBRANCH  23  25
ENDBRANCH  17  20
ENDBRANCH   1  16
TORSDOF 6