REMARK  Name = LIG001995
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.108  -0.846   0.126  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1        2.101   0.021  -0.314  0.00  0.00    +0.030 A 
ATOM      3  C   LIG    1        0.787  -0.405  -0.211  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1       -0.475   0.299  -0.582  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1       -1.493  -0.709  -0.310  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -0.962  -1.833   0.305  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1       -1.557  -2.799   0.742  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        0.494  -1.657   0.327  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1        1.469  -2.521   0.786  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        2.797  -2.101   0.685  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -2.923  -0.425  -0.296  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -3.325   0.510   0.858  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -2.587   0.823   1.789  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -4.604   1.013   0.786  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -4.851   1.641   1.540  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -5.326   1.194  -0.366  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -6.259   1.990  -0.411  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -4.921   0.354  -1.555  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -3.411   0.174  -1.611  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  N   LIG    1        4.473  -0.431   0.067  0.00  0.00    -0.221 N 
ATOM     21  H   LIG    1        5.147  -1.195  -0.018  0.00  0.00    +0.173 HD
BRANCH  20  23
ATOM     22  C   LIG    1        5.273   2.104   0.368  0.00  0.00    +0.218 C 
ATOM     23  S   LIG    1        5.012   0.609   1.295  0.00  0.00    +0.040 S 
ATOM     24  O   LIG    1        3.963   0.842   2.261  0.00  0.00    -0.155 OA
ATOM     25  O   LIG    1        6.310   0.102   1.684  0.00  0.00    -0.155 OA
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 3