REMARK  Name = LIG001699
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.655  -0.584  -1.136  0.00  0.00    +0.091 A 
ATOM      2  C   LIG    1       -2.793  -0.706  -0.017  0.00  0.00    +0.118 A 
ATOM      3  C   LIG    1       -1.517  -0.567  -0.523  0.00  0.00    +0.124 A 
ATOM      4  C   LIG    1       -0.412  -0.626   0.308  0.00  0.00    +0.149 A 
ATOM      5  N   LIG    1       -0.664  -0.849   1.615  0.00  0.00    -0.205 NA
ATOM      6  C   LIG    1       -1.938  -0.977   2.042  0.00  0.00    +0.191 A 
ATOM      7  N   LIG    1       -1.677  -0.413  -1.867  0.00  0.00    -0.272 N 
ATOM      8  H   LIG    1       -0.951  -0.325  -2.569  0.00  0.00    +0.189 HD
ATOM      9  N   LIG    1       -3.046  -0.910   1.291  0.00  0.00    -0.218 NA
ATOM     10  N   LIG    1       -2.961  -0.392  -2.272  0.00  0.00    -0.176 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -5.673  -1.804  -1.997  0.00  0.00    +0.014 C 
ATOM     12  C   LIG    1       -5.155  -0.647  -1.140  0.00  0.00    +0.035 C 
ATOM     13  C   LIG    1       -5.776   0.677  -1.588  0.00  0.00    +0.014 C 
ENDBRANCH   1  12
BRANCH   4  14
ATOM     14  N   LIG    1        0.886  -0.481  -0.169  0.00  0.00    -0.323 N 
ATOM     15  H   LIG    1        0.962   0.188  -0.925  0.00  0.00    +0.148 HD
BRANCH  14  16
ATOM     16  C   LIG    1        1.904  -0.304   0.857  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.239  -0.086   0.179  0.00  0.00    -0.030 A 
ATOM     18  C   LIG    1        3.818   1.186   0.123  0.00  0.00    +0.007 A 
ATOM     19  C   LIG    1        5.045   1.385  -0.520  0.00  0.00    +0.026 A 
ATOM     20  C   LIG    1        5.715   0.311  -1.125  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1        5.131  -0.963  -1.077  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1        3.904  -1.156  -0.432  0.00  0.00    +0.007 A 
BRANCH  20  23
ATOM     23  N   LIG    1        6.965   0.513  -1.781  0.00  0.00    -0.306 N 
ATOM     24  C   LIG    1        7.740  -0.433  -2.420  0.00  0.00    +0.204 A 
ATOM     25  N   LIG    1        8.842   0.070  -2.933  0.00  0.00    -0.244 NA
ATOM     26  C   LIG    1        8.801   1.397  -2.621  0.00  0.00    +0.130 A 
ATOM     27  C   LIG    1        7.661   1.697  -1.915  0.00  0.00    +0.112 A 
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH   4  14
BRANCH   6  28
ATOM     28  S   LIG    1       -2.132  -1.261   3.789  0.00  0.00    -0.085 S 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.710  -0.397   4.089  0.00  0.00    +0.092 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -3.572   1.124   3.955  0.00  0.00    +0.089 C 
BRANCH  30  31
ATOM     31  N   LIG    1       -4.828   1.820   4.252  0.00  0.00    -0.329 NA
ATOM     32  H   LIG    1       -5.142   1.582   5.192  0.00  0.00    +0.118 HD
ATOM     33  H   LIG    1       -5.557   1.497   3.617  0.00  0.00    +0.118 HD
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   6  28
TORSDOF 9