REMARK  Name = BDB026799
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.440   0.928   0.143  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.366   2.128  -0.024  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -2.070   2.703   1.047  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -2.903   3.806   0.842  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -3.032   4.361  -0.429  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -2.321   3.821  -1.497  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -1.490   2.719  -1.295  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      8  O   LIG    1       -0.215   0.259   2.453  0.00  0.00    -0.290 OA
ATOM      9  C   LIG    1       -0.786   0.053   1.373  0.00  0.00    +0.186 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -1.775  -1.031   1.266  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1       -2.720  -1.386   0.237  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -3.394  -2.534   0.673  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.389  -3.175  -0.078  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -4.723  -2.632  -1.318  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -4.088  -1.488  -1.784  0.00  0.00    +0.001 A 
ATOM     16  N   LIG    1       -2.902  -2.857   1.913  0.00  0.00    -0.360 N 
ATOM     17  H   LIG    1       -3.216  -3.640   2.469  0.00  0.00    +0.165 HD
ATOM     18  C   LIG    1       -3.094  -0.860  -1.020  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1       -1.941  -1.963   2.281  0.00  0.00    +0.095 A 
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   1  20
ATOM     20  N   LIG    1        0.961   1.427   0.239  0.00  0.00    -0.303 NA
ATOM     21  H   LIG    1        1.075   1.797   1.187  0.00  0.00    +0.123 HD
BRANCH  20  22
ATOM     22  C   LIG    1        1.943   0.361   0.015  0.00  0.00    +0.086 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.368   0.922   0.128  0.00  0.00    +0.051 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.412  -0.159  -0.045  0.00  0.00    -0.028 A 
ATOM     25  C   LIG    1        4.874  -0.582  -1.302  0.00  0.00    +0.044 A 
ATOM     26 CL   LIG    1        4.293   0.115  -2.773  0.00  0.00    -0.083 Cl
ATOM     27  C   LIG    1        5.829  -1.598  -1.403  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        6.331  -2.208  -0.254  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        5.878  -1.805   0.998  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        4.925  -0.790   1.103  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7