REMARK  Name = BDB006982
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.716  -0.127   0.109  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.471  -0.578  -0.455  0.00  0.00    -0.268 N 
ATOM      3  C   LIG    1        1.761  -0.334   0.046  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1        2.732  -0.882  -0.783  0.00  0.00    +0.070 A 
ATOM      5  N   LIG    1        4.059  -0.820  -0.567  0.00  0.00    -0.257 NA
ATOM      6  C   LIG    1        4.426  -0.161   0.558  0.00  0.00    +0.115 A 
ATOM      7  C   LIG    1        3.533   0.426   1.462  0.00  0.00    -0.023 A 
ATOM      8  C   LIG    1        2.113  -1.537  -1.999  0.00  0.00    +0.025 C 
ATOM      9  C   LIG    1        2.479  -0.765  -3.270  0.00  0.00    +0.019 C 
ATOM     10  C   LIG    1        2.533  -3.003  -2.115  0.00  0.00    +0.019 C 
ATOM     11  C   LIG    1        2.159   0.333   1.189  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        0.604  -1.402  -1.675  0.00  0.00    +0.126 C 
ATOM     13  O   LIG    1       -0.760   0.605   1.100  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -2.003  -0.583  -0.621  0.00  0.00    +0.181 C 
BRANCH  14  21
ATOM     15  C   LIG    1       -3.449  -3.783   2.244  0.00  0.00    +0.025 C 
ATOM     16  C   LIG    1       -3.388  -2.915   0.987  0.00  0.00    +0.065 C 
ATOM     17  N   LIG    1       -4.616  -3.132   0.199  0.00  0.00    -0.310 NA
ATOM     18  H   LIG    1       -5.423  -2.945   0.793  0.00  0.00    +0.122 HD
ATOM     19  C   LIG    1       -4.659  -2.196  -0.946  0.00  0.00    +0.109 C 
ATOM     20  C   LIG    1       -4.476  -0.711  -0.533  0.00  0.00    +0.158 C 
ATOM     21  N   LIG    1       -3.212  -0.472   0.234  0.00  0.00    -0.280 NA
ATOM     22  C   LIG    1       -3.174  -1.423   1.371  0.00  0.00    +0.104 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -4.591   0.222  -1.764  0.00  0.00    +0.234 C 
ATOM     24  N   LIG    1       -4.701   1.595  -1.547  0.00  0.00    -0.306 N 
ATOM     25  C   LIG    1       -4.684   2.491  -2.691  0.00  0.00    +0.131 C 
ATOM     26  C   LIG    1       -4.580   2.236  -0.243  0.00  0.00    +0.131 C 
ATOM     27  O   LIG    1       -4.586  -0.252  -2.904  0.00  0.00    -0.274 OA
ENDBRANCH  20  23
ENDBRANCH  14  21
ENDBRANCH   1  14
BRANCH   7  28
ATOM     28  C   LIG    1        4.033   1.127   2.700  0.00  0.00    +0.071 C 
BRANCH  28  29
ATOM     29  C   LIG    1        4.853   2.364   2.416  0.00  0.00    -0.043 A 
ATOM     30  C   LIG    1        4.244   3.517   1.897  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        5.002   4.658   1.630  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        6.373   4.660   1.879  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        6.988   3.522   2.397  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        6.234   2.379   2.664  0.00  0.00    +0.004 A 
ENDBRANCH  28  29
ENDBRANCH   7  28
TORSDOF 5