REMARK  Name = LIG001453
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.748   0.975  -1.555  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -2.150   0.992  -1.427  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -2.712   1.784  -0.445  0.00  0.00    +0.072 A 
ATOM      4  N   LIG    1       -4.054   1.977  -0.082  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -4.108   2.900   0.989  0.00  0.00    +0.330 A 
ATOM      6  N   LIG    1       -2.774   3.248   1.278  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1       -2.351   4.179   2.283  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -5.114   3.308   1.549  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -1.925   2.572   0.395  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1       -0.554   2.612   0.276  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        0.026   1.813  -0.718  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1       -0.176   0.186  -2.578  0.00  0.00    -0.298 N 
ATOM     13  H   LIG    1       -0.850  -0.441  -3.010  0.00  0.00    +0.154 HD
BRANCH  12  16
ATOM     14  C   LIG    1        3.219  -0.795  -1.722  0.00  0.00    +0.220 A 
ATOM     15  N   LIG    1        1.982  -0.276  -1.627  0.00  0.00    -0.198 NA
ATOM     16  C   LIG    1        1.126  -0.377  -2.666  0.00  0.00    +0.147 A 
ATOM     17  C   LIG    1        1.509  -1.001  -3.843  0.00  0.00    +0.099 A 
ATOM     18 CL   LIG    1        0.472  -1.181  -5.203  0.00  0.00    -0.078 Cl
ATOM     19  C   LIG    1        2.787  -1.501  -3.871  0.00  0.00    +0.137 A 
ATOM     20  N   LIG    1        3.645  -1.412  -2.836  0.00  0.00    -0.221 NA
BRANCH  14  24
ATOM     21  C   LIG    1        7.349  -2.319   0.469  0.00  0.00    +0.009 C 
ATOM     22  C   LIG    1        6.229  -1.280   0.437  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1        5.206  -1.619  -0.659  0.00  0.00    +0.111 C 
ATOM     24  N   LIG    1        4.096  -0.661  -0.636  0.00  0.00    -0.299 N 
ATOM     25  C   LIG    1        3.407  -0.498   0.648  0.00  0.00    +0.111 C 
ATOM     26  C   LIG    1        4.412  -0.149   1.756  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1        3.710  -0.054   3.110  0.00  0.00    +0.009 C 
ATOM     28  C   LIG    1        5.546  -1.178   1.805  0.00  0.00    +0.009 C 
ENDBRANCH  14  24
ENDBRANCH  12  16
ENDBRANCH   1  12
BRANCH   4  29
ATOM     29  C   LIG    1       -5.213   1.417  -0.733  0.00  0.00    +0.130 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -5.905   0.319   0.086  0.00  0.00    +0.056 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -5.330  -1.105  -0.066  0.00  0.00    +0.062 C 
ATOM     32  C   LIG    1       -5.531  -1.658  -1.479  0.00  0.00    +0.041 C 
ATOM     33  C   LIG    1       -6.000  -2.042   0.946  0.00  0.00    +0.041 C 
BRANCH  31  34
ATOM     34  O   LIG    1       -3.931  -1.122   0.199  0.00  0.00    -0.389 OA
ATOM     35  H   LIG    1       -3.773  -0.620   1.019  0.00  0.00    +0.210 HD
ENDBRANCH  31  34
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH   4  29
TORSDOF 7