REMARK  Name = BDB026730
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.994  -3.017  -1.660  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1       -1.025  -2.048  -1.173  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1       -1.484  -0.668  -0.945  0.00  0.00    +0.139 C 
ATOM      4  C   LIG    1       -0.276   0.309  -0.858  0.00  0.00    +0.174 C 
ATOM      5  O   LIG    1        0.633  -0.119   0.163  0.00  0.00    -0.357 OA
ATOM      6  C   LIG    1        1.144  -1.433  -0.068  0.00  0.00    +0.209 C 
ATOM      7  C   LIG    1        0.166  -2.506  -0.618  0.00  0.00    +0.245 C 
ATOM      8  O   LIG    1        0.470  -3.699  -0.602  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   3   9
ATOM      9  C   LIG    1       -2.460  -0.580   0.227  0.00  0.00    -0.024 A 
ATOM     10  C   LIG    1       -2.127  -1.023   1.518  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -3.040  -0.913   2.571  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -4.296  -0.359   2.345  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -5.419  -0.224   3.641  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -4.648   0.086   1.074  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -3.736  -0.024   0.021  0.00  0.00    +0.007 A 
ENDBRANCH   3   9
BRANCH   4  16
ATOM     16  C   LIG    1       -0.671   1.760  -0.644  0.00  0.00    -0.015 A 
ATOM     17  C   LIG    1       -0.654   2.346   0.632  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1       -1.050   3.672   0.805  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1       -1.029   4.372   2.377  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1       -1.465   4.434  -0.284  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -1.485   3.865  -1.557  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -1.092   2.537  -1.736  0.00  0.00    +0.006 A 
ENDBRANCH   4  16
BRANCH   6  23
ATOM     23  C   LIG    1        2.389  -1.390  -0.976  0.00  0.00    +0.076 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.603  -0.826  -0.271  0.00  0.00    -0.044 A 
ATOM     25  C   LIG    1        4.574  -1.685   0.262  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        5.689  -1.167   0.924  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.840   0.211   1.064  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        4.877   1.073   0.543  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        3.763   0.558  -0.120  0.00  0.00    +0.004 A 
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 4