REMARK  Name = BDB060529
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.059   0.724  -1.010  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.093  -0.424  -1.001  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1       -1.558  -1.050   0.203  0.00  0.00    -0.010 A 
ATOM      4  C   LIG    1       -2.507  -2.105   0.105  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1       -2.979  -2.752   1.259  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -2.537  -2.381   2.525  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.617  -1.352   2.651  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.984  -2.509  -1.147  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1       -2.548  -1.891  -2.312  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -1.139  -0.700   1.510  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1       -1.618  -0.860  -2.235  0.00  0.00    +0.122 A 
BRANCH  11  12
ATOM     12  O   LIG    1       -1.208  -0.258  -3.396  0.00  0.00    -0.506 OA
ATOM     13  H   LIG    1       -1.643  -0.693  -4.147  0.00  0.00    +0.292 HD
ENDBRANCH  11  12
ENDBRANCH   1   2
BRANCH   1  17
ATOM     14  C   LIG    1        3.850  -0.229   0.726  0.00  0.00    +0.120 A 
ATOM     15  C   LIG    1        3.107  -1.206   0.069  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        1.853  -0.891  -0.473  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        1.301   0.399  -0.354  0.00  0.00    -0.034 A 
ATOM     18  C   LIG    1        2.081   1.376   0.283  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        3.333   1.061   0.823  0.00  0.00    +0.046 A 
BRANCH  14  21
ATOM     20  C   LIG    1        5.623  -1.714   1.266  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        5.081  -0.401   1.298  0.00  0.00    -0.495 OA
ENDBRANCH  14  21
ENDBRANCH   1  17
BRANCH   1  22
ATOM     22  C   LIG    1       -0.733   2.059  -0.640  0.00  0.00    +0.053 A 
ATOM     23  N   LIG    1       -0.834   2.420   0.668  0.00  0.00    -0.259 NA
ATOM     24  C   LIG    1       -1.467   3.577   0.959  0.00  0.00    +0.111 A 
ATOM     25  C   LIG    1       -2.017   4.415   0.007  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -1.918   4.043  -1.326  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -1.275   2.852  -1.656  0.00  0.00    +0.024 A 
ENDBRANCH   1  22
TORSDOF 5