REMARK  Name = BDB026800
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.296   1.269  -0.166  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.117   2.506   0.178  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -0.794   3.257   1.320  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -1.527   4.397   1.655  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -2.584   4.809   0.846  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -2.902   4.088  -0.302  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -2.171   2.948  -0.640  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      8  O   LIG    1       -1.283  -0.119  -1.895  0.00  0.00    -0.290 OA
ATOM      9  C   LIG    1       -1.186   0.103  -0.682  0.00  0.00    +0.186 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -1.907  -0.724   0.297  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1       -2.688  -1.901   0.028  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -3.192  -2.362   1.245  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.001  -3.501   1.352  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -4.304  -4.194   0.178  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -3.819  -3.763  -1.053  0.00  0.00    +0.001 A 
ATOM     16  N   LIG    1       -2.746  -1.503   2.219  0.00  0.00    -0.360 N 
ATOM     17  H   LIG    1       -2.968  -1.590   3.202  0.00  0.00    +0.165 HD
ATOM     18  C   LIG    1       -3.013  -2.622  -1.141  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1       -1.971  -0.519   1.665  0.00  0.00    +0.095 A 
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   1  20
ATOM     20  N   LIG    1        0.734   1.638  -1.177  0.00  0.00    -0.303 NA
ATOM     21  H   LIG    1        0.244   1.667  -2.077  0.00  0.00    +0.123 HD
BRANCH  20  22
ATOM     22  C   LIG    1        1.817   0.652  -1.282  0.00  0.00    +0.086 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.862   0.808  -0.169  0.00  0.00    +0.050 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.995  -0.179  -0.326  0.00  0.00    -0.045 A 
ATOM     25  C   LIG    1        3.906  -1.459   0.239  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1        4.949  -2.371   0.075  0.00  0.00    +0.041 A 
ATOM     27 CL   LIG    1        4.830  -3.938   0.778  0.00  0.00    -0.084 Cl
ATOM     28  C   LIG    1        6.084  -2.025  -0.653  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        6.177  -0.756  -1.224  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        5.137   0.162  -1.063  0.00  0.00    +0.004 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7