REMARK  Name = BDB028359
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.978  -1.338   1.679  0.00  0.00    +0.078 A 
ATOM      2  N   LIG    1        1.442  -1.939   2.830  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1        2.732  -1.758   3.457  0.00  0.00    +0.173 C 
ATOM      4  N   LIG    1        0.561  -2.788   3.391  0.00  0.00    -0.179 NA
ATOM      5  C   LIG    1       -0.483  -2.758   2.562  0.00  0.00    +0.143 A 
ATOM      6  C   LIG    1       -0.293  -1.866   1.486  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   6   7
ATOM      7  C   LIG    1       -1.176  -1.552   0.379  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1       -1.524  -0.223   0.099  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -2.363   0.076  -0.981  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -2.878  -0.959  -1.757  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -3.793  -0.638  -2.864  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1       -4.080   0.693  -3.046  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1       -4.712   0.932  -3.804  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1       -3.569   1.730  -2.328  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1       -4.270  -1.516  -3.574  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -2.542  -2.289  -1.481  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1       -2.746   1.461  -1.356  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1       -1.689  -2.583  -0.416  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1       -2.164   2.646  -0.589  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -2.858   2.781   0.693  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1       -2.550   3.643   1.144  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1       -3.854   2.919   0.503  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6   7
BRANCH   1  28
ATOM     23  C   LIG    1        3.917   2.554  -1.452  0.00  0.00    +0.045 C 
ATOM     24  C   LIG    1        3.163   1.549  -0.626  0.00  0.00    -0.031 A 
ATOM     25  C   LIG    1        2.587   1.885   0.607  0.00  0.00    +0.045 A 
ATOM     26 CL   LIG    1        2.700   3.482   1.252  0.00  0.00    -0.083 Cl
ATOM     27  C   LIG    1        1.891   0.929   1.351  0.00  0.00    +0.031 A 
ATOM     28  C   LIG    1        1.750  -0.385   0.879  0.00  0.00    +0.019 A 
ATOM     29  C   LIG    1        2.319  -0.732  -0.358  0.00  0.00    +0.061 A 
ATOM     30  C   LIG    1        3.021   0.234  -1.098  0.00  0.00    +0.024 A 
BRANCH  29  31
ATOM     31  C   LIG    1        2.211  -2.060  -0.895  0.00  0.00    +0.100 C 
ATOM     32  N   LIG    1        2.142  -3.126  -1.350  0.00  0.00    -0.191 NA
ENDBRANCH  29  31
ENDBRANCH   1  28
TORSDOF 5