REMARK  Name = LIG001836
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.687  -3.013   1.531  0.00  0.00    +0.141 C 
ENDROOT
BRANCH   1   5
ATOM      2  N   LIG    1        2.335  -1.385  -0.180  0.00  0.00    -0.269 N 
ATOM      3  H   LIG    1        1.534  -0.992   0.289  0.00  0.00    +0.156 HD
ATOM      4  C   LIG    1        2.274  -2.730  -0.420  0.00  0.00    +0.304 C 
ATOM      5  N   LIG    1        1.336  -3.414   0.298  0.00  0.00    -0.295 N 
ATOM      6  H   LIG    1        1.394  -4.408   0.116  0.00  0.00    +0.151 HD
ATOM      7  O   LIG    1        2.964  -3.366  -1.210  0.00  0.00    -0.252 OA
BRANCH   2  13
ATOM      8  C   LIG    1        5.986   2.555  -2.199  0.00  0.00    +0.045 C 
ATOM      9  C   LIG    1        5.027   1.528  -1.670  0.00  0.00    -0.032 A 
ATOM     10  C   LIG    1        3.882   1.881  -0.944  0.00  0.00    +0.046 A 
ATOM     11 CL   LIG    1        3.499   3.533  -0.610  0.00  0.00    -0.083 Cl
ATOM     12  C   LIG    1        3.008   0.899  -0.463  0.00  0.00    +0.043 A 
ATOM     13  C   LIG    1        3.258  -0.457  -0.703  0.00  0.00    +0.036 A 
ATOM     14  C   LIG    1        4.399  -0.814  -1.419  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1        5.274   0.167  -1.899  0.00  0.00    +0.006 A 
ENDBRANCH   2  13
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  C   LIG    1       -0.443  -2.035   1.325  0.00  0.00    -0.030 A 
ATOM     17  C   LIG    1       -1.347  -2.171   0.268  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1       -2.394  -1.254   0.096  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1       -2.582  -0.178   0.977  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1       -1.684  -0.070   2.048  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1       -0.634  -0.983   2.223  0.00  0.00    +0.007 A 
BRANCH  19  22
ATOM     22  N   LIG    1       -3.654   0.760   0.788  0.00  0.00    -0.255 N 
ATOM     23  C   LIG    1       -4.155   1.569   1.818  0.00  0.00    +0.313 C 
ATOM     24  O   LIG    1       -3.826   1.551   3.001  0.00  0.00    -0.252 OA
ATOM     25  N   LIG    1       -5.173   2.417   1.443  0.00  0.00    -0.240 N 
ATOM     26  H   LIG    1       -5.543   2.971   2.203  0.00  0.00    +0.159 HD
ATOM     27  C   LIG    1       -6.083   2.137   0.461  0.00  0.00    +0.222 C 
ATOM     28  O   LIG    1       -7.205   2.636   0.463  0.00  0.00    -0.275 OA
ATOM     29  C   LIG    1       -5.658   1.117  -0.555  0.00  0.00    +0.115 C 
ATOM     30  C   LIG    1       -4.147   1.044  -0.558  0.00  0.00    +0.124 C 
ENDBRANCH  19  22
ENDBRANCH   1  16
TORSDOF 4