REMARK  Name = LIG000734
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.724   0.214   2.592  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1       -0.870   0.098   1.714  0.00  0.00    +0.310 C 
ATOM      3  N   LIG    1        0.407  -0.122   2.125  0.00  0.00    -0.248 N 
ATOM      4  H   LIG    1        0.492  -0.165   3.132  0.00  0.00    +0.158 HD
ATOM      5  N   LIG    1       -1.123   0.177   0.375  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1       -0.321   0.062  -0.227  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.602  -0.300   1.483  0.00  0.00    +0.167 A 
ATOM      8  S   LIG    1        1.770  -0.281  -0.209  0.00  0.00    -0.052 S 
ATOM      9  C   LIG    1        3.460  -0.562  -0.056  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1        3.775  -0.651   1.301  0.00  0.00    +0.080 A 
ATOM     11  C   LIG    1        5.115  -0.881   1.673  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        6.096  -1.015   0.685  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        5.759  -0.922  -0.661  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        4.436  -0.694  -1.056  0.00  0.00    +0.017 A 
ATOM     15  N   LIG    1        2.703  -0.500   2.164  0.00  0.00    -0.225 NA
ENDBRANCH   3   7
BRANCH   5  16
ATOM     16  C   LIG    1       -2.357   0.397  -0.270  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1       -3.569   0.577   0.396  0.00  0.00    +0.057 A 
ATOM     18  C   LIG    1       -4.736   0.789  -0.353  0.00  0.00    +0.146 A 
ATOM     19  C   LIG    1       -4.733   0.828  -1.744  0.00  0.00    +0.071 A 
ATOM     20 CL   LIG    1       -6.148   1.086  -2.692  0.00  0.00    -0.081 Cl
ATOM     21  C   LIG    1       -3.519   0.647  -2.405  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1       -2.343   0.434  -1.673  0.00  0.00    +0.025 A 
BRANCH  18  23
ATOM     23  N   LIG    1       -5.970   0.972   0.367  0.00  0.00    +0.058 N 
ATOM     24  O   LIG    1       -6.622  -0.047   0.626  0.00  0.00    -0.126 OA
ATOM     25  O   LIG    1       -6.266   2.130   0.687  0.00  0.00    -0.126 OA
ENDBRANCH  18  23
ENDBRANCH   5  16
TORSDOF 3