REMARK  Name = LIG000755
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.810  -0.253   2.130  0.00  0.00    +0.137 A 
ATOM      2  C   LIG    1        0.383  -0.749   2.753  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1        0.116  -1.326   3.979  0.00  0.00    +0.059 A 
ATOM      4  S   LIG    1       -1.547  -1.303   4.366  0.00  0.00    -0.101 S 
ATOM      5  C   LIG    1       -1.930  -0.524   2.892  0.00  0.00    +0.091 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1        1.729  -0.656   2.183  0.00  0.00    +0.117 A 
ATOM      7  N   LIG    1        2.820  -1.058   2.912  0.00  0.00    -0.129 NA
ATOM      8  N   LIG    1        3.906  -0.865   2.176  0.00  0.00    -0.064 NA
ATOM      9  N   LIG    1        3.505  -0.376   0.987  0.00  0.00    -0.239 N 
ATOM     10  C   LIG    1        2.153  -0.200   0.957  0.00  0.00    +0.139 A 
BRANCH   9  11
ATOM     11  C   LIG    1        4.506   0.025   0.011  0.00  0.00    +0.195 C 
ATOM     12  C   LIG    1        4.114  -0.338  -1.411  0.00  0.00    +0.244 C 
ATOM     13  O   LIG    1        3.396  -1.289  -1.710  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        4.662   0.439  -2.409  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        4.414   0.183  -3.356  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        5.480   1.535  -2.282  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        5.896   2.133  -3.268  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        5.878   1.912  -0.876  0.00  0.00    +0.099 C 
ATOM     19  C   LIG    1        4.800   1.522   0.122  0.00  0.00    +0.045 C 
ENDBRANCH   9  11
ENDBRANCH   2   6
BRANCH   1  20
ATOM     20  O   LIG    1       -0.817   0.350   0.909  0.00  0.00    -0.486 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -1.892   1.260   0.660  0.00  0.00    +0.264 C 
BRANCH  21  25
ATOM     22  C   LIG    1       -5.302  -0.524  -1.331  0.00  0.00    +0.120 A 
ATOM     23  C   LIG    1       -5.452   0.611  -0.533  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -4.351   1.181   0.113  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1       -3.077   0.615  -0.025  0.00  0.00    -0.010 A 
ATOM     26  C   LIG    1       -2.930  -0.514  -0.842  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1       -4.035  -1.083  -1.485  0.00  0.00    +0.046 A 
BRANCH  22  29
ATOM     28  C   LIG    1       -6.369  -2.165  -2.678  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1       -6.459  -0.977  -1.902  0.00  0.00    -0.495 OA
ENDBRANCH  22  29
ENDBRANCH  21  25
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6