REMARK  Name = LIG001636
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.057  -1.130   0.928  0.00  0.00    +0.160 A 
ATOM      2  C   LIG    1       -3.088  -0.511   1.631  0.00  0.00    +0.026 A 
ATOM      3  S   LIG    1       -2.428   0.602   2.771  0.00  0.00    -0.056 S 
ATOM      4  C   LIG    1       -0.868   0.230   2.215  0.00  0.00    +0.165 A 
ATOM      5  N   LIG    1       -0.779  -0.674   1.281  0.00  0.00    -0.218 NA
ENDROOT
BRANCH   4   6
ATOM      6  N   LIG    1        0.135   0.918   2.825  0.00  0.00    -0.263 N 
ATOM      7  H   LIG    1       -0.108   1.538   3.585  0.00  0.00    +0.157 HD
ATOM      8  C   LIG    1        1.464   0.826   2.526  0.00  0.00    +0.239 C 
ATOM      9  O   LIG    1        2.257   1.432   3.254  0.00  0.00    -0.273 OA
BRANCH   8  10
ATOM     10  C   LIG    1        1.928  -0.035   1.345  0.00  0.00    +0.222 C 
BRANCH  10  11
ATOM     11  N   LIG    1        3.346   0.182   1.091  0.00  0.00    -0.290 N 
ATOM     12  C   LIG    1        3.725   1.232   0.288  0.00  0.00    +0.257 A 
ATOM     13  O   LIG    1        2.927   1.995  -0.255  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1        5.192   1.402   0.091  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1        5.595   2.558  -0.772  0.00  0.00    +0.051 C 
ATOM     16  C   LIG    1        6.008   0.532   0.717  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1        7.509   0.565   0.582  0.00  0.00    +0.066 C 
ATOM     18  N   LIG    1        5.561  -0.479   1.535  0.00  0.00    -0.242 NA
ATOM     19  C   LIG    1        4.288  -0.601   1.693  0.00  0.00    +0.202 A 
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   4   6
BRANCH   1  20
ATOM     20  C   LIG    1       -2.226  -2.163  -0.106  0.00  0.00    +0.358 C 
ATOM     21  O   LIG    1       -3.271  -2.776  -0.298  0.00  0.00    -0.243 OA
BRANCH  20  23
ATOM     22  C   LIG    1       -1.209  -3.334  -1.862  0.00  0.00    +0.280 C 
ATOM     23  O   LIG    1       -1.079  -2.369  -0.819  0.00  0.00    -0.463 OA
ENDBRANCH  20  23
ENDBRANCH   1  20
BRANCH   2  24
ATOM     24  C   LIG    1       -4.581  -0.654   1.509  0.00  0.00    +0.049 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.213   0.426   0.618  0.00  0.00    +0.040 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.727   0.407  -0.813  0.00  0.00    -0.046 A 
ATOM     27  C   LIG    1       -5.176  -0.577  -1.705  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -4.688  -0.614  -3.012  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1       -5.229  -1.839  -4.092  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1       -3.757   0.327  -3.447  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -3.310   1.313  -2.568  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       -3.792   1.353  -1.258  0.00  0.00    +0.004 A 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   2  24
TORSDOF 8