REMARK  Name = BDB002144
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.170   0.410   0.970  0.00  0.00    -0.312 N 
ATOM      2  H   LIG    1       -0.217   0.328   1.978  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -1.342   0.208   0.257  0.00  0.00    +0.251 C 
ATOM      4  O   LIG    1       -1.357  -0.022  -0.948  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        1.123   0.216   0.335  0.00  0.00    +0.109 C 
BRANCH   5   6
ATOM      6  C   LIG    1        2.234   0.949   1.086  0.00  0.00    +0.054 C 
BRANCH   6  10
ATOM      7  C   LIG    1        6.094   0.292  -0.749  0.00  0.00    +0.161 A 
ATOM      8  C   LIG    1        5.684  -0.511   0.334  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1        4.434  -0.289   0.926  0.00  0.00    +0.053 A 
ATOM     10  C   LIG    1        3.586   0.726   0.457  0.00  0.00    -0.042 A 
ATOM     11  C   LIG    1        4.001   1.513  -0.622  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        5.246   1.299  -1.219  0.00  0.00    +0.049 A 
BRANCH   7  14
ATOM     13  C   LIG    1        7.766   0.784  -2.384  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        7.333   0.013  -1.273  0.00  0.00    -0.491 OA
ENDBRANCH   7  14
BRANCH   8  15
ATOM     15  O   LIG    1        6.572  -1.479   0.736  0.00  0.00    -0.491 OA
ATOM     16  C   LIG    1        6.189  -2.324   1.810  0.00  0.00    +0.277 C 
ENDBRANCH   8  15
ENDBRANCH   6  10
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   3  17
ATOM     17  C   LIG    1       -2.598   0.312   1.124  0.00  0.00    +0.328 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -3.790   0.100   0.376  0.00  0.00    -0.451 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -4.923   0.172   1.116  0.00  0.00    +0.360 C 
ATOM     20  O   LIG    1       -4.969   0.392   2.319  0.00  0.00    -0.243 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -6.126  -0.054   0.277  0.00  0.00    +0.166 A 
ATOM     22  N   LIG    1       -5.977  -0.299  -1.052  0.00  0.00    -0.245 NA
ATOM     23  C   LIG    1       -7.127  -0.493  -1.740  0.00  0.00    +0.134 A 
ATOM     24  C   LIG    1       -8.384  -0.450  -1.144  0.00  0.00    +0.056 A 
ATOM     25  C   LIG    1       -9.621  -0.673  -1.956  0.00  0.00    +0.067 C 
ATOM     26  N   LIG    1       -8.528  -0.205   0.183  0.00  0.00    -0.256 NA
ATOM     27  C   LIG    1       -7.376  -0.009   0.877  0.00  0.00    +0.146 A 
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 9