REMARK  Name = BDB026831
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.416   1.041   0.692  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.311   2.209   1.087  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -1.450   2.547   2.444  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -2.258   3.617   2.833  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -2.929   4.370   1.873  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -2.784   4.062   0.522  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -1.975   2.994   0.129  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      8  O   LIG    1       -0.630   0.359  -1.628  0.00  0.00    -0.290 OA
ATOM      9  C   LIG    1       -1.028   0.203  -0.467  0.00  0.00    +0.186 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -2.086  -0.770  -0.156  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1       -2.715  -1.686  -1.067  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -3.663  -2.416  -0.347  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.465  -3.405  -0.929  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -4.295  -3.661  -2.292  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -3.360  -2.953  -3.041  0.00  0.00    +0.001 A 
ATOM     16  N   LIG    1       -3.622  -1.964   0.949  0.00  0.00    -0.360 N 
ATOM     17  H   LIG    1       -4.212  -2.310   1.694  0.00  0.00    +0.165 HD
ATOM     18  C   LIG    1       -2.567  -1.967  -2.443  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1       -2.678  -0.980   1.078  0.00  0.00    +0.095 A 
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   1  20
ATOM     20  N   LIG    1        0.926   1.565   0.320  0.00  0.00    -0.303 NA
ATOM     21  H   LIG    1        0.840   1.953  -0.624  0.00  0.00    +0.123 HD
BRANCH  20  22
ATOM     22  C   LIG    1        1.944   0.509   0.314  0.00  0.00    +0.086 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.305   1.089  -0.099  0.00  0.00    +0.051 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.374   0.019  -0.173  0.00  0.00    -0.028 A 
ATOM     25  C   LIG    1        5.106  -0.408   0.948  0.00  0.00    +0.046 A 
ATOM     26 CL   LIG    1        4.853   0.271   2.517  0.00  0.00    -0.083 Cl
ATOM     27  C   LIG    1        6.072  -1.411   0.830  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1        6.309  -1.999  -0.409  0.00  0.00    +0.042 A 
ATOM     29 CL   LIG    1        7.497  -3.235  -0.555  0.00  0.00    -0.083 Cl
ATOM     30  C   LIG    1        5.590  -1.597  -1.531  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        4.625  -0.595  -1.413  0.00  0.00    +0.006 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7