REMARK  Name = BDB026798
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.561   0.574  -0.481  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.477   2.028  -0.938  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -0.203   3.044  -0.008  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -0.120   4.378  -0.414  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -0.313   4.714  -1.752  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -0.591   3.719  -2.686  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -0.672   2.385  -2.283  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      8  O   LIG    1       -2.868   0.432  -1.291  0.00  0.00    -0.290 OA
ATOM      9  C   LIG    1       -2.034   0.057  -0.465  0.00  0.00    +0.186 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -2.404  -0.951   0.549  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1       -3.702  -1.541   0.744  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -3.606  -2.442   1.806  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.693  -3.195   2.267  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -5.922  -3.024   1.624  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -6.055  -2.135   0.562  0.00  0.00    +0.001 A 
ATOM     16  N   LIG    1       -2.307  -2.411   2.246  0.00  0.00    -0.360 N 
ATOM     17  H   LIG    1       -1.951  -2.965   3.013  0.00  0.00    +0.165 HD
ATOM     18  C   LIG    1       -4.957  -1.390   0.115  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1       -1.574  -1.525   1.499  0.00  0.00    +0.095 A 
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   1  20
ATOM     20  N   LIG    1        0.260  -0.336  -1.326  0.00  0.00    -0.303 NA
ATOM     21  H   LIG    1        0.015  -1.304  -1.121  0.00  0.00    +0.123 HD
BRANCH  20  22
ATOM     22  C   LIG    1        1.705  -0.142  -1.159  0.00  0.00    +0.086 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.272  -0.835   0.089  0.00  0.00    +0.051 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.755  -0.583   0.248  0.00  0.00    -0.028 A 
ATOM     25  C   LIG    1        4.265   0.552   0.899  0.00  0.00    +0.044 A 
ATOM     26 CL   LIG    1        3.228   1.746   1.598  0.00  0.00    -0.083 Cl
ATOM     27  C   LIG    1        5.645   0.752   1.003  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        6.531  -0.175   0.456  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        6.040  -1.301  -0.198  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        4.662  -1.504  -0.304  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7