REMARK  Name = LIG001720
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.303  -0.083  -0.339  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -2.425   1.205   0.122  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1       -1.384   2.193  -0.128  0.00  0.00    +0.164 C 
ATOM      4  C   LIG    1       -2.099   3.529   0.032  0.00  0.00    +0.065 C 
ATOM      5  C   LIG    1       -3.138   3.239   1.117  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -3.540   1.783   0.857  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1       -1.329  -0.431  -1.016  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -0.240   2.067   0.900  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        0.939   2.664   0.499  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1        1.060   2.865  -0.484  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1       -0.388   1.548   2.005  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        2.146   2.542   1.286  0.00  0.00    +0.139 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.050   1.478   0.717  0.00  0.00    -0.030 A 
ATOM     14  C   LIG    1        4.197   1.823  -0.009  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        5.018   0.829  -0.551  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        4.704  -0.526  -0.384  0.00  0.00    -0.010 A 
ATOM     17  C   LIG    1        3.555  -0.870   0.338  0.00  0.00    +0.009 A 
ATOM     18  C   LIG    1        2.736   0.122   0.882  0.00  0.00    +0.006 A 
BRANCH  16  19
ATOM     19  C   LIG    1        5.575  -1.556  -0.948  0.00  0.00    +0.042 A 
ATOM     20  C   LIG    1        6.916  -1.828  -0.710  0.00  0.00    +0.053 A 
ATOM     21  C   LIG    1        7.816  -1.125   0.243  0.00  0.00    +0.067 C 
ATOM     22  N   LIG    1        7.443  -2.878  -1.450  0.00  0.00    -0.252 NA
ATOM     23  C   LIG    1        6.509  -3.385  -2.222  0.00  0.00    +0.156 A 
ATOM     24  S   LIG    1        4.966  -2.655  -2.123  0.00  0.00    -0.075 S 
ENDBRANCH  16  19
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   5  25
ATOM     25  O   LIG    1       -4.228   4.143   1.020  0.00  0.00    -0.390 OA
ATOM     26  H   LIG    1       -4.681   3.990   0.171  0.00  0.00    +0.210 HD
ENDBRANCH   5  25
BRANCH   1  27
ATOM     27  C   LIG    1       -3.436  -1.087  -0.021  0.00  0.00    +0.162 C 
BRANCH  27  30
ATOM     28  C   LIG    1       -4.907  -1.524  -3.486  0.00  0.00    +0.109 C 
ATOM     29  C   LIG    1       -4.755  -0.965  -2.097  0.00  0.00    +0.211 C 
ATOM     30  N   LIG    1       -3.830  -1.630  -1.324  0.00  0.00    -0.304 N 
ATOM     31  H   LIG    1       -3.096  -2.122  -1.822  0.00  0.00    +0.149 HD
ATOM     32  O   LIG    1       -5.395   0.007  -1.708  0.00  0.00    -0.276 OA
ENDBRANCH  27  30
BRANCH  27  33
ATOM     33  C   LIG    1       -2.925  -2.207   0.913  0.00  0.00    +0.012 C 
ATOM     34  C   LIG    1       -4.006  -3.269   1.146  0.00  0.00    +0.009 C 
ATOM     35  C   LIG    1       -2.472  -1.650   2.266  0.00  0.00    +0.009 C 
ENDBRANCH  27  33
ENDBRANCH   1  27
TORSDOF 8