REMARK  Name = LIG001030
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.798   0.505  -0.350  0.00  0.00    +0.091 A 
ATOM      2  C   LIG    1       -2.736   0.365  -1.278  0.00  0.00    +0.118 A 
ATOM      3  C   LIG    1       -2.049  -0.766  -0.882  0.00  0.00    +0.124 A 
ATOM      4  C   LIG    1       -0.930  -1.201  -1.572  0.00  0.00    +0.149 A 
ATOM      5  N   LIG    1       -0.584  -0.472  -2.655  0.00  0.00    -0.205 NA
ATOM      6  C   LIG    1       -1.302   0.621  -2.982  0.00  0.00    +0.188 A 
ATOM      7  N   LIG    1       -2.731  -1.236   0.200  0.00  0.00    -0.272 N 
ATOM      8  H   LIG    1       -2.535  -2.073   0.738  0.00  0.00    +0.189 HD
ATOM      9  N   LIG    1       -2.377   1.107  -2.346  0.00  0.00    -0.219 NA
ATOM     10  N   LIG    1       -3.785  -0.482   0.563  0.00  0.00    -0.176 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -4.776   2.404   0.968  0.00  0.00    +0.014 C 
ATOM     12  C   LIG    1       -4.845   1.580  -0.320  0.00  0.00    +0.035 C 
ATOM     13  C   LIG    1       -6.251   1.009  -0.519  0.00  0.00    +0.014 C 
ENDBRANCH   1  12
BRANCH   6  14
ATOM     14  S   LIG    1       -0.759   1.535  -4.400  0.00  0.00    -0.103 S 
ATOM     15  H   LIG    1       -1.745   2.434  -4.303  0.00  0.00    +0.110 HD
ENDBRANCH   6  14
BRANCH   4  16
ATOM     16  N   LIG    1       -0.215  -2.332  -1.195  0.00  0.00    -0.323 N 
ATOM     17  H   LIG    1       -0.254  -2.520  -0.202  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1        1.125  -2.488  -1.748  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.144  -1.806  -0.864  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        2.524  -0.482  -1.108  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1        3.447   0.164  -0.278  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1        4.007  -0.506   0.818  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1        3.624  -1.832   1.069  0.00  0.00    +0.026 A 
ATOM     24  C   LIG    1        2.698  -2.472   0.236  0.00  0.00    +0.007 A 
BRANCH  22  25
ATOM     25  N   LIG    1        4.949   0.151   1.664  0.00  0.00    -0.306 N 
ATOM     26  C   LIG    1        5.587  -0.368   2.773  0.00  0.00    +0.204 A 
ATOM     27  N   LIG    1        6.400   0.492   3.345  0.00  0.00    -0.244 NA
ATOM     28  C   LIG    1        6.302   1.624   2.591  0.00  0.00    +0.130 A 
ATOM     29  C   LIG    1        5.420   1.443   1.553  0.00  0.00    +0.112 A 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 6