REMARK  Name = BDB057663
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.380  -2.273  -0.528  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1       -2.504  -1.535  -1.711  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -1.390  -1.294  -2.524  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -0.138  -1.788  -2.164  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -0.014  -2.528  -0.987  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -1.123  -2.770  -0.173  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -3.578  -2.514   0.358  0.00  0.00    +0.078 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -4.031  -1.284   1.160  0.00  0.00    +0.231 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -2.963  -0.974   2.212  0.00  0.00    +0.334 C 
ATOM     10  O   LIG    1       -2.815  -1.512   3.299  0.00  0.00    -0.248 OA
BRANCH   9  11
ATOM     11  O   LIG    1       -2.132   0.021   1.831  0.00  0.00    -0.479 OA
ATOM     12  H   LIG    1       -1.488   0.088   2.567  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   8   9
BRANCH   8  13
ATOM     13  O   LIG    1       -5.295  -1.625   1.744  0.00  0.00    -0.362 OA
BRANCH  13  15
ATOM     14  C   LIG    1       -7.551  -1.109   2.253  0.00  0.00    +0.037 C 
ATOM     15  C   LIG    1       -6.169  -0.520   1.987  0.00  0.00    +0.113 C 
ATOM     16  C   LIG    1       -5.719   0.316   3.179  0.00  0.00    +0.037 C 
ENDBRANCH  13  15
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  O   LIG    1        1.031  -1.629  -2.854  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.042  -0.826  -4.037  0.00  0.00    +0.237 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.158   0.665  -3.722  0.00  0.00    +0.120 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.497   1.032  -3.199  0.00  0.00    +0.175 A 
ATOM     21  N   LIG    1        2.719   1.322  -1.877  0.00  0.00    -0.196 NA
ATOM     22  C   LIG    1        4.006   1.587  -1.867  0.00  0.00    +0.230 A 
ATOM     23  O   LIG    1        4.588   1.496  -3.099  0.00  0.00    -0.338 OA
ATOM     24  N   LIG    1        3.574   1.137  -3.990  0.00  0.00    -0.061 NA
BRANCH  22  25
ATOM     25  C   LIG    1        4.899   1.942  -0.729  0.00  0.00    +0.078 C 
ATOM     26  C   LIG    1        5.194   0.701   0.126  0.00  0.00    +0.013 C 
ATOM     27  C   LIG    1        6.062   1.042   1.335  0.00  0.00    +0.001 C 
ATOM     28  C   LIG    1        5.450   2.161   2.172  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1        5.156   3.398   1.329  0.00  0.00    +0.001 C 
ATOM     30  C   LIG    1        4.282   3.062   0.123  0.00  0.00    +0.013 C 
ENDBRANCH  22  25
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 11