REMARK  Name = LIG000038
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.941  -1.111   0.146  0.00  0.00    +0.164 A 
ATOM      2  S   LIG    1        3.084  -2.713  -0.483  0.00  0.00    -0.060 S 
ATOM      3  C   LIG    1        1.407  -2.745  -0.806  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.822  -1.559  -0.407  0.00  0.00    +0.059 A 
ATOM      5  N   LIG    1        1.705  -0.653   0.169  0.00  0.00    -0.229 NA
ENDROOT
BRANCH   1   6
ATOM      6  N   LIG    1        3.956  -0.391   0.682  0.00  0.00    -0.279 N 
ATOM      7  H   LIG    1        3.653   0.529   0.977  0.00  0.00    +0.155 HD
BRANCH   6  11
ATOM      8  C   LIG    1        8.594   1.089   1.390  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1        7.557   0.420   0.540  0.00  0.00    -0.046 A 
ATOM     10  C   LIG    1        6.230   0.326   0.973  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1        5.277  -0.331   0.187  0.00  0.00    +0.125 A 
ATOM     12  N   LIG    1        5.619  -0.898  -0.987  0.00  0.00    -0.240 NA
ATOM     13  C   LIG    1        6.906  -0.814  -1.388  0.00  0.00    +0.113 A 
ATOM     14  C   LIG    1        7.900  -0.176  -0.669  0.00  0.00    +0.023 A 
ENDBRANCH   6  11
ENDBRANCH   1   6
BRANCH   4  15
ATOM     15  C   LIG    1       -0.631  -1.196  -0.466  0.00  0.00    +0.152 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.220  -1.221  -1.864  0.00  0.00    +0.224 C 
ATOM     17  N   LIG    1       -2.460  -0.730  -2.137  0.00  0.00    -0.264 N 
ATOM     18  H   LIG    1       -2.691  -0.756  -3.122  0.00  0.00    +0.157 HD
ATOM     19  O   LIG    1       -0.604  -1.698  -2.825  0.00  0.00    -0.275 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -3.482  -0.232  -1.376  0.00  0.00    +0.165 A 
ATOM     21  S   LIG    1       -3.479  -0.183   0.328  0.00  0.00    -0.057 S 
ATOM     22  C   LIG    1       -5.033   0.500   0.307  0.00  0.00    +0.014 A 
ATOM     23  C   LIG    1       -5.797   0.907   1.520  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1       -7.276   1.140   1.157  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1       -7.436   1.931  -0.155  0.00  0.00    +0.006 C 
ATOM     26  C   LIG    1       -6.802   1.198  -1.351  0.00  0.00    +0.056 C 
ATOM     27  C   LIG    1       -5.464   0.646  -0.994  0.00  0.00    +0.054 A 
ATOM     28  N   LIG    1       -4.576   0.213  -1.954  0.00  0.00    -0.229 NA
ENDBRANCH  17  20
ENDBRANCH  15  16
ENDBRANCH   4  15
TORSDOF 5