REMARK  Name = LIG001540
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.769   0.623  -0.447  0.00  0.00    -0.198 N 
ATOM      2  C   LIG    1       -2.849   0.308   0.536  0.00  0.00    +0.278 A 
ATOM      3  O   LIG    1       -3.035  -0.516   1.427  0.00  0.00    -0.265 OA
ATOM      4  C   LIG    1       -1.584   1.032   0.466  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1       -1.432   1.899  -0.602  0.00  0.00    +0.100 A 
ATOM      6  C   LIG    1       -0.229   2.603  -0.714  0.00  0.00    +0.031 A 
ATOM      7  C   LIG    1        0.789   2.438   0.232  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1        0.621   1.568   1.318  0.00  0.00    -0.029 A 
ATOM      9  N   LIG    1       -2.423   2.089  -1.571  0.00  0.00    -0.131 NA
ATOM     10  C   LIG    1       -0.578   0.853   1.425  0.00  0.00    +0.020 A 
ATOM     11  N   LIG    1       -3.513   1.489  -1.474  0.00  0.00    -0.061 NA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -8.106  -2.462   0.936  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -7.180  -1.769   0.525  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -6.846  -0.591   1.145  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -7.387  -0.352   1.966  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -5.884   0.323   0.775  0.00  0.00    +0.244 C 
ATOM     17  O   LIG    1       -5.775   1.385   1.386  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -5.078  -0.028  -0.480  0.00  0.00    +0.199 C 
ATOM     19  C   LIG    1       -5.002  -1.540  -0.688  0.00  0.00    +0.046 C 
ATOM     20  C   LIG    1       -6.408  -2.116  -0.726  0.00  0.00    +0.099 C 
ENDBRANCH   1  18
BRANCH   8  21
ATOM     21  C   LIG    1        1.727   1.376   2.325  0.00  0.00    +0.141 C 
BRANCH  21  22
ATOM     22  N   LIG    1        2.628   0.321   1.914  0.00  0.00    -0.295 N 
ATOM     23  H   LIG    1        2.206  -0.581   1.755  0.00  0.00    +0.151 HD
ATOM     24  C   LIG    1        3.747   0.608   1.157  0.00  0.00    +0.304 C 
ATOM     25  N   LIG    1        4.421  -0.549   0.832  0.00  0.00    -0.269 N 
ATOM     26  H   LIG    1        4.142  -1.370   1.348  0.00  0.00    +0.156 HD
ATOM     27  O   LIG    1        4.066   1.750   0.858  0.00  0.00    -0.252 OA
BRANCH  25  28
ATOM     28  C   LIG    1        5.557  -0.679   0.009  0.00  0.00    +0.035 A 
ATOM     29  C   LIG    1        6.159  -1.944  -0.059  0.00  0.00    +0.025 A 
ATOM     30  C   LIG    1        7.285  -2.156  -0.861  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1        7.813  -1.103  -1.602  0.00  0.00    +0.041 A 
ATOM     32 CL   LIG    1        9.198  -1.361  -2.589  0.00  0.00    -0.084 Cl
ATOM     33  C   LIG    1        7.223   0.156  -1.548  0.00  0.00    +0.022 A 
ATOM     34  C   LIG    1        6.096   0.366  -0.745  0.00  0.00    +0.025 A 
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH   8  21
TORSDOF 4