REMARK  Name = BDB026830
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.423   1.673  -1.022  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.015   3.079  -0.920  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -1.723   3.528   0.205  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -2.213   4.834   0.271  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -1.994   5.718  -0.782  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -1.282   5.298  -1.901  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -0.793   3.991  -1.969  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      8  O   LIG    1       -2.402   0.670   0.011  0.00  0.00    -0.290 OA
ATOM      9  C   LIG    1       -1.343   0.489  -0.593  0.00  0.00    +0.186 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -0.913  -0.884  -0.918  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1       -1.428  -2.106  -0.361  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -0.721  -3.165  -0.933  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -0.951  -4.505  -0.598  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -1.936  -4.775   0.355  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -2.661  -3.744   0.946  0.00  0.00    +0.001 A 
ATOM     16  N   LIG    1        0.180  -2.619  -1.814  0.00  0.00    -0.360 N 
ATOM     17  H   LIG    1        0.838  -3.156  -2.363  0.00  0.00    +0.165 HD
ATOM     18  C   LIG    1       -2.417  -2.411   0.598  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1        0.080  -1.254  -1.810  0.00  0.00    +0.095 A 
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   1  20
ATOM     20  N   LIG    1        0.921   1.595  -0.388  0.00  0.00    -0.303 NA
ATOM     21  H   LIG    1        1.480   2.377  -0.727  0.00  0.00    +0.123 HD
BRANCH  20  22
ATOM     22  C   LIG    1        0.893   1.630   1.081  0.00  0.00    +0.086 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.191   1.056   1.677  0.00  0.00    +0.051 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.392  -0.418   1.383  0.00  0.00    -0.028 A 
ATOM     25  C   LIG    1        1.691  -1.435   2.055  0.00  0.00    +0.046 A 
ATOM     26 CL   LIG    1        0.582  -1.088   3.334  0.00  0.00    -0.083 Cl
ATOM     27  C   LIG    1        1.878  -2.777   1.714  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1        2.771  -3.114   0.702  0.00  0.00    +0.042 A 
ATOM     29 CL   LIG    1        2.985  -4.764   0.260  0.00  0.00    -0.083 Cl
ATOM     30  C   LIG    1        3.485  -2.126   0.031  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        3.294  -0.785   0.367  0.00  0.00    +0.006 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7