REMARK  Name = BDB026879
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.554   1.050   0.195  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.509   2.179   0.558  0.00  0.00    -0.020 A 
ATOM      3  C   LIG    1       -2.212   2.927  -0.394  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -3.052   3.943   0.040  0.00  0.00    +0.111 A 
ATOM      5  N   LIG    1       -3.232   4.272   1.336  0.00  0.00    -0.263 NA
ATOM      6  C   LIG    1       -2.526   3.565   2.240  0.00  0.00    +0.111 A 
ATOM      7  C   LIG    1       -1.666   2.530   1.907  0.00  0.00    +0.025 A 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      8  O   LIG    1       -0.234   0.896  -2.193  0.00  0.00    -0.290 OA
ATOM      9  C   LIG    1       -0.826   0.443  -1.204  0.00  0.00    +0.186 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -1.768  -0.675  -1.363  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1       -2.748  -1.248  -0.477  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -3.347  -2.316  -1.157  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.350  -3.120  -0.600  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -4.774  -2.830   0.697  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -4.218  -1.771   1.403  0.00  0.00    +0.001 A 
ATOM     16  N   LIG    1       -2.776  -2.384  -2.404  0.00  0.00    -0.360 N 
ATOM     17  H   LIG    1       -3.025  -3.059  -3.114  0.00  0.00    +0.165 HD
ATOM     18  C   LIG    1       -3.214  -0.978   0.831  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1       -1.839  -1.403  -2.542  0.00  0.00    +0.095 A 
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   1  20
ATOM     20  N   LIG    1        0.837   1.577   0.267  0.00  0.00    -0.303 NA
ATOM     21  H   LIG    1        0.986   2.127  -0.586  0.00  0.00    +0.123 HD
BRANCH  20  22
ATOM     22  C   LIG    1        1.831   0.500   0.320  0.00  0.00    +0.086 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.249   1.087   0.347  0.00  0.00    +0.050 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.298   0.003   0.406  0.00  0.00    -0.046 A 
ATOM     25  C   LIG    1        4.781  -0.452   1.641  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        5.736  -1.469   1.696  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        6.210  -2.038   0.516  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1        7.386  -3.292   0.583  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1        5.736  -1.599  -0.719  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        4.781  -0.582  -0.774  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7