REMARK  Name = BDB047124
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.915  -0.501  -2.487  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1       -0.506  -0.152  -1.258  0.00  0.00    +0.012 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        0.559  -0.864  -0.538  0.00  0.00    -0.021 A 
ATOM      4  C   LIG    1        1.490  -0.125   0.203  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        2.504  -0.775   0.909  0.00  0.00    +0.129 A 
ATOM      6  C   LIG    1        2.571  -2.169   0.925  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        1.638  -2.913   0.205  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1        0.636  -2.263  -0.522  0.00  0.00    +0.008 A 
BRANCH   5   9
ATOM      9  O   LIG    1        3.367   0.017   1.632  0.00  0.00    -0.456 OA
BRANCH   9  10
ATOM     10  C   LIG    1        4.713  -0.255   1.525  0.00  0.00    +0.128 A 
ATOM     11  C   LIG    1        5.452  -0.264   2.708  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        6.827  -0.500   2.667  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        7.462  -0.710   1.443  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        6.726  -0.677   0.258  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        5.350  -0.442   0.296  0.00  0.00    +0.046 A 
ENDBRANCH   9  10
ENDBRANCH   5   9
ENDBRANCH   2   3
BRANCH   1  16
ATOM     16  C   LIG    1       -1.968   0.212  -3.258  0.00  0.00    +0.190 C 
ATOM     17  O   LIG    1       -1.887   0.244  -4.485  0.00  0.00    -0.287 OA
BRANCH  16  21
ATOM     18  C   LIG    1       -4.340   0.924  -0.085  0.00  0.00    +0.075 A 
ATOM     19  C   LIG    1       -3.680   0.221  -1.308  0.00  0.00    +0.210 A 
ATOM     20  O   LIG    1       -3.712  -1.000  -1.282  0.00  0.00    -0.285 OA
ATOM     21  C   LIG    1       -3.076   0.884  -2.527  0.00  0.00    +0.070 A 
ATOM     22  C   LIG    1       -3.578   2.003  -3.066  0.00  0.00    +0.015 A 
ATOM     23  C   LIG    1       -4.512   2.816  -2.555  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -5.118   2.843  -1.360  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -5.015   2.071  -0.270  0.00  0.00    +0.027 A 
BRANCH  18  27
ATOM     26  C   LIG    1       -5.157   0.396   2.259  0.00  0.00    +0.125 C 
ATOM     27  N   LIG    1       -4.258   0.239   1.136  0.00  0.00    -0.344 N 
ATOM     28  H   LIG    1       -4.000  -0.738   0.960  0.00  0.00    +0.146 HD
ENDBRANCH  18  27
ENDBRANCH  16  21
ENDBRANCH   1  16
TORSDOF 6