REMARK  Name = BDB020969
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.347   0.683  -1.744  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1        1.395  -0.462  -1.423  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1       -0.074  -0.077  -1.540  0.00  0.00    +0.198 C 
ATOM      4  C   LIG    1       -0.759  -1.236  -0.811  0.00  0.00    +0.252 C 
ATOM      5  O   LIG    1        0.170  -1.763   0.159  0.00  0.00    -0.345 OA
ATOM      6  C   LIG    1        1.471  -1.120  -0.033  0.00  0.00    +0.188 C 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -2.002  -0.832  -0.155  0.00  0.00    -0.303 N 
ATOM      8  C   LIG    1       -3.106  -0.354  -0.824  0.00  0.00    +0.148 A 
ATOM      9  C   LIG    1       -4.095  -0.104   0.119  0.00  0.00    +0.064 A 
ATOM     10  C   LIG    1       -5.379   0.403  -0.322  0.00  0.00    +0.181 A 
ATOM     11  N   LIG    1       -5.385   0.552  -1.687  0.00  0.00    -0.328 N 
ATOM     12  H   LIG    1       -6.258   0.899  -2.057  0.00  0.00    +0.168 HD
ATOM     13  C   LIG    1       -4.339   0.276  -2.532  0.00  0.00    +0.200 A 
ATOM     14  N   LIG    1       -6.320   0.647   0.531  0.00  0.00    -0.068 NA
ATOM     15  C   LIG    1       -3.571  -0.430   1.390  0.00  0.00    +0.033 A 
ATOM     16  N   LIG    1       -3.167  -0.173  -2.179  0.00  0.00    -0.220 NA
ATOM     17  C   LIG    1       -2.280  -0.876   1.193  0.00  0.00    +0.091 A 
BRANCH  14  18
ATOM     18  O   LIG    1       -7.460   1.126  -0.138  0.00  0.00    -0.408 OA
ATOM     19  H   LIG    1       -8.083   1.264   0.602  0.00  0.00    +0.328 HD
ENDBRANCH  14  18
ENDBRANCH   4   7
BRANCH   3  20
ATOM     20  O   LIG    1       -0.447   0.024  -2.925  0.00  0.00    -0.384 OA
ATOM     21  H   LIG    1       -1.430   0.070  -2.922  0.00  0.00    +0.210 HD
ENDBRANCH   3  20
BRANCH   2  22
ATOM     22  O   LIG    1        1.662  -1.482  -2.418  0.00  0.00    -0.383 OA
ATOM     23  H   LIG    1        1.177  -1.185  -3.218  0.00  0.00    +0.210 HD
ENDBRANCH   2  22
BRANCH   6  24
ATOM     24  C   LIG    1        1.710  -0.211   1.203  0.00  0.00    +0.176 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.143   0.032   1.658  0.00  0.00    -0.016 A 
ATOM     26  C   LIG    1        3.352   0.689   2.888  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1        4.640   0.941   3.367  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        5.742   0.530   2.626  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1        7.331   0.837   3.209  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1        5.563  -0.135   1.416  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        4.272  -0.387   0.938  0.00  0.00    +0.007 A 
ENDBRANCH  24  25
BRANCH  24  32
ATOM     32  O   LIG    1        1.021   1.034   1.037  0.00  0.00    -0.384 OA
ATOM     33  H   LIG    1        1.579   1.749   1.389  0.00  0.00    +0.210 HD
ENDBRANCH  24  32
ENDBRANCH   6  24
TORSDOF 7