REMARK  Name = LIG001976
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.800  -2.159  -0.422  0.00  0.00    +0.091 A 
ATOM      2  C   LIG    1       -2.277  -0.841  -0.440  0.00  0.00    +0.118 A 
ATOM      3  C   LIG    1       -1.129  -0.913  -1.202  0.00  0.00    +0.124 A 
ATOM      4  C   LIG    1       -0.349   0.209  -1.427  0.00  0.00    +0.149 A 
ATOM      5  N   LIG    1       -0.799   1.359  -0.879  0.00  0.00    -0.205 NA
ATOM      6  C   LIG    1       -1.926   1.353  -0.141  0.00  0.00    +0.191 A 
ATOM      7  N   LIG    1       -1.049  -2.212  -1.607  0.00  0.00    -0.272 N 
ATOM      8  H   LIG    1       -0.349  -2.631  -2.209  0.00  0.00    +0.189 HD
ATOM      9  N   LIG    1       -2.716   0.303   0.121  0.00  0.00    -0.218 NA
ATOM     10  N   LIG    1       -2.036  -2.999  -1.140  0.00  0.00    -0.176 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -3.722  -3.702   1.329  0.00  0.00    +0.014 C 
ATOM     12  C   LIG    1       -4.040  -2.638   0.276  0.00  0.00    +0.035 C 
ATOM     13  C   LIG    1       -5.084  -3.155  -0.716  0.00  0.00    +0.014 C 
ENDBRANCH   1  12
BRANCH   4  14
ATOM     14  N   LIG    1        0.809   0.172  -2.194  0.00  0.00    -0.323 N 
ATOM     15  H   LIG    1        1.282  -0.723  -2.167  0.00  0.00    +0.148 HD
BRANCH  14  16
ATOM     16  C   LIG    1        1.725   1.299  -2.079  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.729   1.055  -0.976  0.00  0.00    -0.030 A 
ATOM     18  C   LIG    1        2.473   1.492   0.329  0.00  0.00    +0.007 A 
ATOM     19  C   LIG    1        3.391   1.254   1.358  0.00  0.00    +0.026 A 
ATOM     20  C   LIG    1        4.585   0.565   1.100  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1        4.839   0.118  -0.205  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1        3.918   0.360  -1.231  0.00  0.00    +0.007 A 
BRANCH  20  23
ATOM     23  N   LIG    1        5.522   0.317   2.146  0.00  0.00    -0.306 N 
ATOM     24  C   LIG    1        5.424   0.697   3.470  0.00  0.00    +0.204 A 
ATOM     25  N   LIG    1        6.457   0.316   4.189  0.00  0.00    -0.244 NA
ATOM     26  C   LIG    1        7.273  -0.339   3.315  0.00  0.00    +0.130 A 
ATOM     27  C   LIG    1        6.725  -0.353   2.054  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       -2.405   2.927   0.534  0.00  0.00    -0.084 S 
BRANCH  28  29
ATOM     29  C   LIG    1       -4.133   2.987  -0.060  0.00  0.00    +0.105 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -4.223   3.069  -1.583  0.00  0.00    +0.167 C 
BRANCH  30  31
ATOM     31  O   LIG    1       -3.587   4.244  -2.077  0.00  0.00    -0.394 OA
ATOM     32  H   LIG    1       -2.669   4.228  -1.747  0.00  0.00    +0.209 HD
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   6  28
TORSDOF 9