REMARK  Name = BDB003109
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.587   0.157   1.258  0.00  0.00    +0.174 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.971   1.638   1.219  0.00  0.00    -0.018 A 
ATOM      3  C   LIG    1       -1.712   2.436   0.088  0.00  0.00    +0.055 A 
ATOM      4  C   LIG    1       -2.078   3.765   0.127  0.00  0.00    +0.167 A 
ATOM      5  O   LIG    1       -1.906   4.664  -0.879  0.00  0.00    -0.453 OA
ATOM      6  C   LIG    1       -2.448   5.855  -0.272  0.00  0.00    +0.466 C 
ATOM      7  O   LIG    1       -2.956   5.641   1.062  0.00  0.00    -0.453 OA
ATOM      8  C   LIG    1       -2.677   4.321   1.231  0.00  0.00    +0.166 A 
ATOM      9  C   LIG    1       -2.943   3.580   2.361  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1       -2.584   2.228   2.353  0.00  0.00    +0.009 A 
ENDBRANCH   1   2
BRANCH   1  14
ATOM     11  C   LIG    1       -2.733  -4.373   1.102  0.00  0.00    +0.009 C 
ATOM     12  C   LIG    1       -3.105  -2.915   0.840  0.00  0.00    +0.000 C 
ATOM     13  C   LIG    1       -1.897  -2.112   0.335  0.00  0.00    +0.088 C 
ATOM     14  N   LIG    1       -2.158  -0.664   0.127  0.00  0.00    -0.288 NA
ATOM     15  C   LIG    1       -3.598  -0.388  -0.065  0.00  0.00    +0.085 C 
ATOM     16  C   LIG    1       -4.295  -1.476  -0.880  0.00  0.00    +0.016 C 
ATOM     17  C   LIG    1       -4.266  -2.822  -0.159  0.00  0.00    +0.006 C 
ENDBRANCH   1  14
BRANCH   1  18
ATOM     18  C   LIG    1       -0.027   0.053   1.283  0.00  0.00    +0.239 C 
ATOM     19  N   LIG    1        0.513  -0.133   0.019  0.00  0.00    -0.284 N 
ATOM     20  H   LIG    1       -0.189  -0.258  -0.707  0.00  0.00    +0.155 HD
ATOM     21  O   LIG    1        0.600   0.158   2.335  0.00  0.00    -0.273 OA
BRANCH  19  22
ATOM     22  C   LIG    1        1.863  -0.235  -0.353  0.00  0.00    +0.033 A 
ATOM     23  C   LIG    1        2.137  -0.482  -1.702  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1        3.456  -0.596  -2.154  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        4.530  -0.464  -1.265  0.00  0.00    -0.045 A 
ATOM     26  C   LIG    1        4.247  -0.214   0.085  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1        2.927  -0.100   0.536  0.00  0.00    +0.023 A 
BRANCH  25  28
ATOM     28  C   LIG    1        5.955  -0.590  -1.773  0.00  0.00    +0.013 C 
ATOM     29  C   LIG    1        6.682  -1.769  -1.123  0.00  0.00    +0.012 C 
ATOM     30  C   LIG    1        6.739   0.710  -1.577  0.00  0.00    +0.012 C 
ENDBRANCH  25  28
ENDBRANCH  19  22
ENDBRANCH   1  18
TORSDOF 5