REMARK  Name = LIG001599
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.435  -0.647  -2.479  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        0.295  -0.162  -1.610  0.00  0.00    +0.223 C 
ATOM      3  N   LIG    1        1.643  -0.246  -1.816  0.00  0.00    -0.264 N 
ATOM      4  H   LIG    1        1.922  -0.715  -2.666  0.00  0.00    +0.157 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.622   0.254  -1.013  0.00  0.00    +0.165 A 
ATOM      6  S   LIG    1        4.206  -0.034  -1.579  0.00  0.00    -0.046 S 
ATOM      7  C   LIG    1        4.828   0.783  -0.207  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        3.778   1.231   0.570  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1        2.512   0.913   0.110  0.00  0.00    -0.232 NA
BRANCH   7  10
ATOM     10  S   LIG    1        6.532   1.039   0.102  0.00  0.00    -0.112 S 
BRANCH  10  11
ATOM     11  C   LIG    1        7.140  -0.674   0.149  0.00  0.00    +0.111 C 
BRANCH  11  12
ATOM     12  C   LIG    1        8.579  -0.736   0.573  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1        8.927  -0.905   1.910  0.00  0.00    +0.115 A 
ATOM     14  N   LIG    1       10.200  -0.967   2.361  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1       11.178  -0.841   1.440  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1       10.942  -0.659   0.088  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        9.622  -0.605  -0.350  0.00  0.00    +0.007 A 
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   7  10
ENDBRANCH   3   5
BRANCH   2  18
ATOM     18  C   LIG    1       -0.243   0.515  -0.355  0.00  0.00    +0.131 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.750   0.469  -0.223  0.00  0.00    -0.039 A 
ATOM     20  C   LIG    1       -2.365  -0.468   0.616  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -3.759  -0.515   0.737  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1       -4.563   0.366   0.014  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1       -3.950   1.300  -0.829  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -2.557   1.352  -0.949  0.00  0.00    +0.006 A 
BRANCH  22  25
ATOM     25  N   LIG    1       -5.973   0.386   0.081  0.00  0.00    -0.282 N 
ATOM     26  H   LIG    1       -6.423   1.066  -0.516  0.00  0.00    +0.155 HD
ATOM     27  C   LIG    1       -6.791  -0.476   0.788  0.00  0.00    +0.248 C 
ATOM     28  O   LIG    1       -6.449  -1.455   1.440  0.00  0.00    -0.270 OA
BRANCH  27  29
ATOM     29  C   LIG    1       -8.245  -0.175   0.697  0.00  0.00    +0.040 A 
ATOM     30  C   LIG    1       -8.724   1.136   0.669  0.00  0.00    +0.033 A 
ATOM     31  C   LIG    1      -10.093   1.319   0.591  0.00  0.00    +0.111 A 
ATOM     32  N   LIG    1      -10.984   0.305   0.541  0.00  0.00    -0.263 NA
ATOM     33  C   LIG    1      -10.491  -0.952   0.592  0.00  0.00    +0.111 A 
ATOM     34  C   LIG    1       -9.143  -1.242   0.674  0.00  0.00    +0.033 A 
ENDBRANCH  27  29
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 8