REMARK  Name = LIG000016
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.374  -1.676  -0.265  0.00  0.00    +0.164 A 
ATOM      2  S   LIG    1        1.686  -3.027  -1.295  0.00  0.00    -0.060 S 
ATOM      3  C   LIG    1        0.235  -3.774  -0.794  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -0.406  -2.976   0.130  0.00  0.00    +0.059 A 
ATOM      5  N   LIG    1        0.258  -1.796   0.428  0.00  0.00    -0.229 NA
ENDROOT
BRANCH   1   6
ATOM      6  N   LIG    1        2.166  -0.596  -0.089  0.00  0.00    -0.279 N 
ATOM      7  H   LIG    1        2.060  -0.130   0.805  0.00  0.00    +0.155 HD
BRANCH   6  11
ATOM      8  C   LIG    1        6.162   1.827   0.673  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1        5.343   1.002  -0.275  0.00  0.00    +0.040 A 
ATOM     10  N   LIG    1        4.139   0.564   0.167  0.00  0.00    -0.237 NA
ATOM     11  C   LIG    1        3.383  -0.211  -0.642  0.00  0.00    +0.125 A 
ATOM     12  C   LIG    1        3.804  -0.523  -1.928  0.00  0.00    +0.044 A 
ATOM     13  C   LIG    1        5.041  -0.068  -2.380  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        5.826   0.707  -1.542  0.00  0.00    +0.023 A 
ENDBRANCH   6  11
ENDBRANCH   1   6
BRANCH   4  15
ATOM     15  C   LIG    1       -1.707  -3.252   0.808  0.00  0.00    +0.151 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.831  -2.477   0.146  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1       -2.709  -1.110   0.263  0.00  0.00    -0.308 N 
ATOM     18  H   LIG    1       -1.803  -0.753   0.555  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1       -3.772  -3.029  -0.418  0.00  0.00    -0.275 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -3.611  -0.192  -0.405  0.00  0.00    +0.100 C 
ATOM     21  C   LIG    1       -3.326  -0.131  -1.911  0.00  0.00    +0.033 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -3.520   1.168   0.264  0.00  0.00    -0.027 A 
ATOM     23  C   LIG    1       -4.538   1.583   1.138  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -4.463   2.817   1.789  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -3.368   3.651   1.581  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -2.345   3.253   0.725  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -2.417   2.017   0.074  0.00  0.00    +0.005 A 
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH  15  16
ENDBRANCH   4  15
TORSDOF 6