REMARK  Name = BDB049894
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.397  -1.362   1.198  0.00  0.00    +0.084 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.007  -0.769   0.934  0.00  0.00    +0.217 C 
ATOM      3  N   LIG    1        0.652  -1.326  -0.138  0.00  0.00    -0.302 N 
ATOM      4  H   LIG    1        0.112  -1.917  -0.772  0.00  0.00    +0.150 HD
ATOM      5  O   LIG    1        0.487   0.132   1.603  0.00  0.00    -0.275 OA
BRANCH   3   6
ATOM      6  C   LIG    1        1.861  -0.702  -0.689  0.00  0.00    +0.182 C 
BRANCH   6   7
ATOM      7  C   LIG    1        1.383   0.467  -1.558  0.00  0.00    +0.327 C 
ATOM      8  O   LIG    1        0.419   0.423  -2.316  0.00  0.00    -0.249 OA
BRANCH   7   9
ATOM      9  O   LIG    1        2.169   1.564  -1.361  0.00  0.00    -0.467 OA
ATOM     10  C   LIG    1        1.755   2.716  -2.095  0.00  0.00    +0.280 C 
ENDBRANCH   7   9
ENDBRANCH   6   7
BRANCH   6  11
ATOM     11  C   LIG    1        2.638  -1.750  -1.497  0.00  0.00    +0.036 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.061  -1.394  -1.978  0.00  0.00    -0.015 C 
ATOM     13  C   LIG    1        4.936  -0.795  -0.879  0.00  0.00    +0.007 C 
ATOM     14  C   LIG    1        4.073  -0.513  -3.226  0.00  0.00    +0.007 C 
ENDBRANCH  11  12
ENDBRANCH   6  11
ENDBRANCH   3   6
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1       -1.889  -1.047   2.633  0.00  0.00    +0.013 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.709   0.231   2.878  0.00  0.00    +0.001 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.960   1.541   2.634  0.00  0.00    -0.000 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -3.193   2.965   4.361  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1       -2.814   2.784   2.899  0.00  0.00    -0.003 C 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
BRANCH   1  20
ATOM     20  C   LIG    1       -2.400  -0.936   0.112  0.00  0.00    +0.110 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.306  -1.758  -1.158  0.00  0.00    +0.236 C 
ATOM     22  N   LIG    1       -3.276  -1.459  -2.082  0.00  0.00    -0.197 N 
ATOM     23  H   LIG    1       -4.138  -0.974  -1.854  0.00  0.00    +0.182 HD
ATOM     24  O   LIG    1       -1.437  -2.603  -1.369  0.00  0.00    -0.274 OA
BRANCH  22  25
ATOM     25  O   LIG    1       -3.299  -2.273  -3.238  0.00  0.00    -0.295 OA
ATOM     26  H   LIG    1       -2.501  -2.832  -3.120  0.00  0.00    +0.241 HD
ENDBRANCH  22  25
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 13