REMARK  Name = BDB028443
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.103  -2.142   0.198  0.00  0.00    +0.000 A 
ATOM      2  C   LIG    1       -0.200  -2.261   0.738  0.00  0.00    +0.000 A 
ATOM      3  C   LIG    1       -0.754  -3.554   0.896  0.00  0.00    +0.000 A 
ATOM      4  C   LIG    1       -2.049  -3.699   1.426  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -2.791  -2.577   1.796  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -2.256  -1.293   1.644  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1        0.006  -4.671   0.516  0.00  0.00    +0.000 A 
ATOM      8  O   LIG    1       -0.451  -5.841   0.641  0.00  0.00    +0.000 OA
ATOM      9  N   LIG    1        1.252  -4.492   0.006  0.00  0.00    +0.000 N 
ATOM     10  H   LIG    1        1.820  -5.321  -0.278  0.00  0.00    +0.000 HD
ATOM     11  C   LIG    1       -0.963  -1.137   1.121  0.00  0.00    +0.000 A 
ATOM     12  N   LIG    1        1.773  -3.275  -0.145  0.00  0.00    +0.000 NA
ENDROOT
BRANCH   6  13
ATOM     13  B   LIG    1       -3.106  -0.029   2.052  0.00  0.00    +0.000 B 
ATOM     14  O   LIG    1       -4.549  -0.172   2.167  0.00  0.00    +0.000 OA
ATOM     15  C   LIG    1       -5.034   0.791   1.261  0.00  0.00    +0.000 C 
ATOM     16  C   LIG    1       -5.971   1.710   2.079  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1       -5.897   0.072   0.201  0.00  0.00    +0.000 C 
ATOM     18  C   LIG    1       -3.766   1.554   0.658  0.00  0.00    +0.000 C 
ATOM     19  C   LIG    1       -3.928   3.089   0.588  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1       -3.355   1.081  -0.767  0.00  0.00    +0.000 C 
ATOM     21  O   LIG    1       -2.707   1.274   1.535  0.00  0.00    +0.000 OA
ENDBRANCH   6  13
BRANCH   1  22
ATOM     22  C   LIG    1        1.758  -0.788  -0.005  0.00  0.00    +0.000 C 
BRANCH  22  24
ATOM     23  C   LIG    1        3.868   0.316  -0.843  0.00  0.00    +0.000 C 
ATOM     24  N   LIG    1        3.105  -0.866  -0.582  0.00  0.00    +0.000 N 
ATOM     25  H   LIG    1        3.550  -1.780  -0.820  0.00  0.00    +0.000 HD
ATOM     26  O   LIG    1        3.385   1.450  -0.577  0.00  0.00    +0.000 OA
BRANCH  23  27
ATOM     27  O   LIG    1        5.151   0.188  -1.397  0.00  0.00    +0.000 OA
BRANCH  27  29
ATOM     28  C   LIG    1        5.426   2.184  -2.787  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1        6.048   1.260  -1.722  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1        6.418   2.061  -0.458  0.00  0.00    +0.000 C 
ATOM     31  C   LIG    1        7.323   0.627  -2.299  0.00  0.00    +0.000 C 
ENDBRANCH  27  29
ENDBRANCH  23  27
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 5