REMARK  Name = BDB058424
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.411  -1.110   0.636  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1        0.053  -2.191  -0.124  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        1.422  -2.449  -0.225  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        2.350  -1.637   0.431  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        1.896  -0.549   1.175  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        0.525  -0.287   1.276  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -1.891  -0.821   0.729  0.00  0.00    +0.137 C 
BRANCH   7   8
ATOM      8  N   LIG    1       -2.350  -0.270  -0.539  0.00  0.00    -0.340 N 
ATOM      9  H   LIG    1       -1.658   0.339  -0.970  0.00  0.00    +0.146 HD
BRANCH   8  12
ATOM     10  C   LIG    1       -6.005   0.337  -0.018  0.00  0.00    +0.061 A 
ATOM     11  C   LIG    1       -4.700  -0.141   0.191  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -3.649   0.229  -0.656  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -3.956   1.038  -1.760  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1       -5.250   1.519  -1.979  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -6.276   1.175  -1.103  0.00  0.00    +0.015 A 
BRANCH  10  17
ATOM     16  O   LIG    1       -6.902  -0.786   1.913  0.00  0.00    -0.245 OA
ATOM     17  C   LIG    1       -7.061  -0.079   0.935  0.00  0.00    +0.337 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -8.273   0.412   0.621  0.00  0.00    -0.477 OA
ATOM     19  H   LIG    1       -8.858   0.057   1.322  0.00  0.00    +0.295 HD
ENDBRANCH  17  18
ENDBRANCH  10  17
ENDBRANCH   8  12
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  20
ATOM     20  O   LIG    1        3.656  -1.997   0.240  0.00  0.00    -0.487 OA
BRANCH  20  21
ATOM     21  C   LIG    1        4.652  -1.408   1.079  0.00  0.00    +0.264 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.177  -0.088   0.555  0.00  0.00    -0.010 A 
ATOM     23  C   LIG    1        5.681   0.868   1.451  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1        6.193   2.080   0.983  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        6.216   2.340  -0.386  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1        6.847   3.833  -0.962  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1        5.736   1.396  -1.290  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        5.224   0.184  -0.821  0.00  0.00    +0.008 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 8