REMARK  Name = LIG001877
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.487   0.567  -0.919  0.00  0.00    +0.217 A 
ATOM      2  N   LIG    1        0.251   0.770  -0.449  0.00  0.00    -0.198 NA
ATOM      3  C   LIG    1       -0.789   0.167  -1.067  0.00  0.00    +0.147 A 
ATOM      4  C   LIG    1       -0.582  -0.674  -2.155  0.00  0.00    +0.099 A 
ATOM      5 CL   LIG    1       -1.850  -1.489  -2.981  0.00  0.00    -0.078 Cl
ATOM      6  C   LIG    1        0.723  -0.837  -2.552  0.00  0.00    +0.137 A 
ATOM      7  N   LIG    1        1.767  -0.236  -1.949  0.00  0.00    -0.221 NA
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1        2.485   1.240  -0.252  0.00  0.00    -0.309 N 
ATOM      9  H   LIG    1        2.085   1.594   0.611  0.00  0.00    +0.149 HD
BRANCH   8  14
ATOM     10  C   LIG    1        4.732  -2.650   2.375  0.00  0.00    +0.109 C 
ATOM     11  C   LIG    1        5.666  -2.303   1.242  0.00  0.00    +0.213 C 
ATOM     12  N   LIG    1        5.293  -1.251   0.408  0.00  0.00    -0.300 N 
ATOM     13  C   LIG    1        3.912  -0.754   0.332  0.00  0.00    +0.130 C 
ATOM     14  C   LIG    1        3.840   0.707  -0.155  0.00  0.00    +0.090 C 
ATOM     15  C   LIG    1        4.639   0.915  -1.445  0.00  0.00    +0.025 C 
ATOM     16  C   LIG    1        6.073   0.427  -1.251  0.00  0.00    +0.021 C 
ATOM     17  C   LIG    1        6.114  -1.024  -0.781  0.00  0.00    +0.108 C 
ATOM     18  O   LIG    1        6.715  -2.931   1.097  0.00  0.00    -0.276 OA
ENDBRANCH   8  14
ENDBRANCH   1   8
BRANCH   3  19
ATOM     19  N   LIG    1       -2.117   0.359  -0.594  0.00  0.00    -0.297 N 
ATOM     20  H   LIG    1       -2.717   0.527  -1.414  0.00  0.00    +0.154 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.583   1.044   0.554  0.00  0.00    +0.058 A 
ATOM     22  C   LIG    1       -3.900   1.539   0.650  0.00  0.00    +0.110 A 
ATOM     23  C   LIG    1       -4.364   2.182   1.812  0.00  0.00    +0.029 A 
ATOM     24  C   LIG    1       -3.536   2.294   2.924  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -2.254   1.761   2.877  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -1.793   1.137   1.712  0.00  0.00    +0.025 A 
BRANCH  22  27
ATOM     27  S   LIG    1       -5.053   1.421  -0.707  0.00  0.00    +0.001 S 
ATOM     28  O   LIG    1       -5.860   2.627  -0.675  0.00  0.00    -0.169 OA
ATOM     29  O   LIG    1       -4.294   1.086  -1.901  0.00  0.00    -0.169 OA
BRANCH  27  30
ATOM     30  C   LIG    1       -6.104   0.025  -0.281  0.00  0.00    +0.130 C 
ATOM     31  C   LIG    1       -5.316  -1.274  -0.156  0.00  0.00    +0.032 C 
ATOM     32  C   LIG    1       -7.212  -0.124  -1.322  0.00  0.00    +0.032 C 
ENDBRANCH  27  30
ENDBRANCH  22  27
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 6