REMARK  Name = LIG001352
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.324   1.616   0.740  0.00  0.00    +0.080 A 
ATOM      2  C   LIG    1       -2.033   1.478   0.199  0.00  0.00    +0.107 A 
ATOM      3  C   LIG    1       -2.016   0.258  -0.435  0.00  0.00    +0.171 A 
ATOM      4  N   LIG    1       -0.994  -0.276  -1.159  0.00  0.00    -0.214 NA
ATOM      5  C   LIG    1        0.074   0.470  -1.181  0.00  0.00    +0.116 A 
ATOM      6  N   LIG    1        0.172   1.707  -0.562  0.00  0.00    -0.310 N 
ATOM      7  H   LIG    1        1.042   2.219  -0.573  0.00  0.00    +0.170 HD
ATOM      8  N   LIG    1       -3.262  -0.304  -0.223  0.00  0.00    -0.211 N 
ATOM      9  C   LIG    1       -0.849   2.289   0.163  0.00  0.00    +0.263 A 
ATOM     10  O   LIG    1       -0.731   3.381   0.706  0.00  0.00    -0.267 OA
ATOM     11  N   LIG    1       -4.080   0.542   0.464  0.00  0.00    -0.168 NA
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1       -3.716  -1.580  -0.617  0.00  0.00    +0.104 A 
ATOM     13  C   LIG    1       -4.910  -1.706  -1.347  0.00  0.00    +0.068 A 
ATOM     14 CL   LIG    1       -5.840  -0.359  -1.916  0.00  0.00    -0.081 Cl
ATOM     15  C   LIG    1       -5.359  -2.973  -1.741  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1       -4.632  -4.115  -1.413  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1       -3.454  -3.995  -0.680  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1       -2.994  -2.735  -0.273  0.00  0.00    +0.068 A 
ATOM     19 CL   LIG    1       -1.611  -2.738   0.771  0.00  0.00    -0.081 Cl
ENDBRANCH   8  12
BRANCH   1  21
ATOM     20  C   LIG    1       -5.076   3.414   0.793  0.00  0.00    +0.014 C 
ATOM     21  C   LIG    1       -3.894   2.768   1.520  0.00  0.00    +0.034 C 
ATOM     22  C   LIG    1       -4.297   2.348   2.935  0.00  0.00    +0.014 C 
ENDBRANCH   1  21
BRANCH   5  23
ATOM     23  C   LIG    1        1.311   0.017  -1.930  0.00  0.00    +0.109 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.502  -0.175  -1.024  0.00  0.00    -0.040 A 
ATOM     25  C   LIG    1        3.675   0.566  -1.214  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1        4.777   0.390  -0.368  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1        4.722  -0.531   0.677  0.00  0.00    +0.121 A 
ATOM     28  C   LIG    1        3.557  -1.279   0.860  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1        2.456  -1.109   0.018  0.00  0.00    +0.007 A 
BRANCH  27  30
ATOM     30  O   LIG    1        5.715  -0.807   1.574  0.00  0.00    -0.490 OA
BRANCH  30  31
ATOM     31  C   LIG    1        6.941  -0.071   1.507  0.00  0.00    +0.256 C 
BRANCH  31  32
ATOM     32  C   LIG    1        7.919  -0.703   0.515  0.00  0.00    +0.196 C 
BRANCH  32  33
ATOM     33  O   LIG    1        8.456  -1.910   1.053  0.00  0.00    -0.392 OA
ATOM     34  H   LIG    1        8.935  -2.357   0.334  0.00  0.00    +0.210 HD
ENDBRANCH  32  33
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH  27  30
ENDBRANCH  23  24
ENDBRANCH   5  23
TORSDOF 8