REMARK  Name = BDB026740
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.169  -2.027  -1.000  0.00  0.00    +0.215 C 
ATOM      2  C   LIG    1        0.156  -2.000  -0.188  0.00  0.00    +0.246 C 
ATOM      3  O   LIG    1        0.776  -3.041   0.035  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1        0.558  -0.760   0.332  0.00  0.00    -0.285 N 
ATOM      5  C   LIG    1        0.020   0.465  -0.298  0.00  0.00    +0.140 C 
ATOM      6  C   LIG    1       -1.452   0.327  -0.801  0.00  0.00    +0.174 C 
ATOM      7  O   LIG    1       -1.549  -0.821  -1.660  0.00  0.00    -0.357 OA
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1        0.232   1.773   0.461  0.00  0.00    -0.024 A 
ATOM      9  C   LIG    1        0.009   1.899   1.841  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1        0.188   3.125   2.488  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        0.588   4.242   1.761  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1        0.811   5.749   2.558  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1        0.810   4.144   0.391  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        0.629   2.918  -0.255  0.00  0.00    +0.007 A 
ENDBRANCH   5   8
BRANCH   6  15
ATOM     15  C   LIG    1       -2.619   0.356   0.178  0.00  0.00    -0.015 A 
ATOM     16  C   LIG    1       -2.583  -0.246   1.445  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1       -3.691  -0.188   2.294  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -3.605  -0.913   3.852  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -4.859   0.452   1.894  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -4.924   1.033   0.631  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -3.816   0.981  -0.220  0.00  0.00    +0.006 A 
ENDBRANCH   6  15
BRANCH   1  22
ATOM     22  C   LIG    1       -1.079  -3.112  -2.074  0.00  0.00    +0.161 C 
BRANCH  22  24
ATOM     23  O   LIG    1       -2.024  -4.734  -0.516  0.00  0.00    -0.251 OA
ATOM     24  C   LIG    1       -1.349  -4.471  -1.497  0.00  0.00    +0.308 C 
BRANCH  24  25
ATOM     25  O   LIG    1       -0.798  -5.456  -2.233  0.00  0.00    -0.481 OA
ATOM     26  H   LIG    1       -1.031  -6.274  -1.746  0.00  0.00    +0.295 HD
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   1  22
BRANCH   4  27
ATOM     27  C   LIG    1        1.890  -0.721   0.956  0.00  0.00    +0.143 C 
BRANCH  27  28
ATOM     28  C   LIG    1        3.002  -0.343   0.002  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        3.635   0.906   0.105  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        4.651   1.265  -0.782  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        5.051   0.379  -1.780  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        4.439  -0.869  -1.887  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        3.423  -1.228  -1.001  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH   4  27
TORSDOF 7