REMARK  Name = BDB026833
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.342   1.518   0.006  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.225   2.729   0.285  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -1.214   3.340   1.550  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -2.016   4.454   1.808  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -2.831   4.976   0.805  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -2.841   4.389  -0.459  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -2.040   3.276  -0.719  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      8  O   LIG    1       -1.341   0.149  -1.756  0.00  0.00    -0.290 OA
ATOM      9  C   LIG    1       -1.183   0.327  -0.545  0.00  0.00    +0.186 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -1.784  -0.607   0.424  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1       -2.413  -1.866   0.131  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -2.838  -2.421   1.339  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -3.491  -3.657   1.423  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -3.718  -4.353   0.232  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -3.309  -3.830  -0.991  0.00  0.00    +0.001 A 
ATOM     16  N   LIG    1       -2.497  -1.536   2.332  0.00  0.00    -0.360 N 
ATOM     17  H   LIG    1       -2.698  -1.674   3.313  0.00  0.00    +0.165 HD
ATOM     18  C   LIG    1       -2.658  -2.592  -1.055  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1       -1.857  -0.448   1.798  0.00  0.00    +0.095 A 
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   1  20
ATOM     20  N   LIG    1        0.753   1.917  -0.914  0.00  0.00    -0.303 NA
ATOM     21  H   LIG    1        1.206   2.751  -0.546  0.00  0.00    +0.123 HD
BRANCH  20  22
ATOM     22  C   LIG    1        1.746   0.872  -1.177  0.00  0.00    +0.086 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.623   0.506   0.031  0.00  0.00    +0.050 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.683  -0.508  -0.331  0.00  0.00    -0.045 A 
ATOM     25  C   LIG    1        4.995  -0.100  -0.610  0.00  0.00    +0.025 A 
ATOM     26  C   LIG    1        5.975  -1.038  -0.956  0.00  0.00    +0.060 A 
ATOM     27 CL   LIG    1        7.568  -0.451  -1.278  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1        5.646  -2.395  -1.030  0.00  0.00    +0.059 A 
ATOM     29 CL   LIG    1        6.801  -3.609  -1.449  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1        4.338  -2.807  -0.759  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1        3.362  -1.869  -0.413  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7