REMARK  Name = LIG001709
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.024   3.948  -0.981  0.00  0.00    +0.223 C 
ATOM      2  N   LIG    1        0.331   3.914  -1.011  0.00  0.00    -0.263 N 
ATOM      3  H   LIG    1        0.749   4.699  -0.526  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1       -1.537   4.957  -0.476  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.259   3.035  -1.496  0.00  0.00    +0.189 A 
ATOM      6  S   LIG    1        0.913   1.725  -2.521  0.00  0.00    -0.024 S 
ATOM      7  C   LIG    1        2.579   1.348  -2.494  0.00  0.00    +0.160 A 
ATOM      8  N   LIG    1        3.315   2.203  -1.820  0.00  0.00    -0.133 NA
ATOM      9  N   LIG    1        2.542   3.195  -1.248  0.00  0.00    -0.125 NA
BRANCH   7  10
ATOM     10  S   LIG    1        3.264  -0.062  -3.263  0.00  0.00    -0.092 S 
BRANCH  10  11
ATOM     11  C   LIG    1        4.111  -0.799  -1.833  0.00  0.00    +0.113 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.159  -1.304  -0.786  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1        2.565  -2.559  -0.896  0.00  0.00    +0.115 A 
ATOM     14  N   LIG    1        1.702  -3.073   0.011  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        1.386  -2.282   1.060  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        1.909  -1.016   1.259  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        2.810  -0.523   0.323  0.00  0.00    +0.007 A 
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   7  10
ENDBRANCH   2   5
BRANCH   1  18
ATOM     18  C   LIG    1       -1.929   2.844  -1.494  0.00  0.00    +0.131 C 
BRANCH  18  22
ATOM     19  C   LIG    1       -2.160  -0.745   1.012  0.00  0.00    +0.029 A 
ATOM     20  C   LIG    1       -2.186  -0.802  -0.391  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1       -2.114   0.347  -1.193  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -1.984   1.614  -0.620  0.00  0.00    -0.039 A 
ATOM     23  C   LIG    1       -1.986   1.700   0.774  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1       -2.056   0.543   1.565  0.00  0.00    +0.023 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -2.301  -3.222   1.204  0.00  0.00    +0.129 C 
ATOM     26  N   LIG    1       -2.242  -1.885   1.802  0.00  0.00    -0.336 N 
ATOM     27  C   LIG    1       -2.240  -1.799   3.259  0.00  0.00    +0.129 C 
ENDBRANCH  19  26
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 7