REMARK  Name = BDB047669
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.002   0.325  -0.142  0.00  0.00    +0.082 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.173   1.008   0.544  0.00  0.00    +0.232 C 
BRANCH   2   3
ATOM      3  O   LIG    1       -2.342   0.738  -0.226  0.00  0.00    -0.492 OA
BRANCH   3  13
ATOM      4  C   LIG    1       -4.679   0.811  -0.512  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -5.933   1.273  -0.054  0.00  0.00    +0.053 A 
ATOM      6  C   LIG    1       -6.086   2.077   1.075  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -7.475   2.341   1.229  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1       -8.137   1.701   0.208  0.00  0.00    +0.083 A 
ATOM      9  C   LIG    1       -4.943   2.452   1.800  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -3.684   2.011   1.377  0.00  0.00    +0.046 A 
ATOM     11  N   LIG    1       -7.201   1.061  -0.558  0.00  0.00    -0.360 N 
ATOM     12  H   LIG    1       -7.403   0.507  -1.378  0.00  0.00    +0.165 HD
ATOM     13  C   LIG    1       -3.547   1.203   0.245  0.00  0.00    +0.126 A 
BRANCH   4  14
ATOM     14  C   LIG    1       -4.530  -0.069  -1.734  0.00  0.00    +0.040 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -5.547  -2.209  -0.783  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -4.324  -1.552  -1.407  0.00  0.00    +0.001 C 
ENDBRANCH  14  16
ENDBRANCH   4  14
ENDBRANCH   3  13
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        1.305   0.557   0.611  0.00  0.00    +0.232 C 
BRANCH  17  18
ATOM     18  O   LIG    1        2.345  -0.113  -0.099  0.00  0.00    -0.491 OA
BRANCH  18  19
ATOM     19  C   LIG    1        3.599  -0.100   0.453  0.00  0.00    +0.130 A 
ATOM     20  C   LIG    1        4.588  -0.881  -0.191  0.00  0.00    +0.041 A 
ATOM     21  C   LIG    1        4.573  -1.724  -1.340  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1        5.837  -2.237  -1.510  0.00  0.00    +0.087 A 
ATOM     23  N   LIG    1        6.627  -1.738  -0.508  0.00  0.00    -0.336 N 
ATOM     24  C   LIG    1        5.891  -0.910   0.317  0.00  0.00    +0.053 A 
ATOM     25  C   LIG    1        6.261  -0.179   1.454  0.00  0.00    +0.026 A 
ATOM     26  C   LIG    1        5.279   0.592   2.078  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1        3.972   0.633   1.589  0.00  0.00    +0.046 A 
BRANCH  23  28
ATOM     28  C   LIG    1        8.050  -2.015  -0.371  0.00  0.00    +0.242 C 
BRANCH  28  29
ATOM     29  C   LIG    1        8.954  -0.872  -0.765  0.00  0.00    +0.325 C 
ATOM     30  O   LIG    1       10.134  -0.839  -0.431  0.00  0.00    -0.249 OA
BRANCH  29  31
ATOM     31  O   LIG    1        8.430   0.095  -1.550  0.00  0.00    -0.479 OA
ATOM     32  H   LIG    1        7.476   0.018  -1.755  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  23  28
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11