REMARK  Name = BDB017302
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.593  -0.495  -1.064  0.00  0.00    +0.125 A 
ATOM      2  C   LIG    1        5.120   0.553  -0.242  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1        3.715   0.792  -0.124  0.00  0.00    -0.010 A 
ATOM      4  C   LIG    1        2.817  -0.067  -0.806  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        1.426   0.124  -0.707  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        0.893   1.158   0.066  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1        1.764   2.028   0.721  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        3.317  -1.112  -1.590  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        3.147   1.847   0.629  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        4.688  -1.323  -1.723  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        7.475  -1.538  -2.106  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        6.956  -0.626  -1.144  0.00  0.00    -0.495 OA
ENDBRANCH   1  12
BRANCH   6  13
ATOM     13  C   LIG    1       -0.577   1.396   0.201  0.00  0.00    +0.168 C 
ATOM     14  O   LIG    1       -0.954   2.533   0.482  0.00  0.00    -0.292 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -1.563   0.253  -0.048  0.00  0.00    +0.078 C 
ATOM     16  C   LIG    1       -1.395  -1.011   0.833  0.00  0.00    +0.005 C 
ATOM     17  C   LIG    1       -2.272  -2.120   0.177  0.00  0.00    +0.020 C 
ATOM     18  C   LIG    1       -3.469  -1.585  -0.632  0.00  0.00    +0.085 C 
ATOM     19  N   LIG    1       -3.999  -0.359  -0.039  0.00  0.00    -0.299 NA
ATOM     20  C   LIG    1       -3.026   0.746  -0.010  0.00  0.00    +0.096 C 
BRANCH  19  21
ATOM     21  C   LIG    1       -5.347  -0.071  -0.541  0.00  0.00    +0.057 C 
ATOM     22  C   LIG    1       -5.901   1.311  -0.130  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1       -6.500   1.391  -1.555  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -5.388   0.415  -2.006  0.00  0.00    +0.019 C 
ENDBRANCH  19  21
BRANCH  16  25
ATOM     25  C   LIG    1       -1.739  -0.872   2.357  0.00  0.00    -0.013 C 
ATOM     26  C   LIG    1       -1.254  -2.106   3.142  0.00  0.00    +0.007 C 
ATOM     27  C   LIG    1       -1.143   0.361   3.039  0.00  0.00    +0.007 C 
ENDBRANCH  16  25
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   2  28
ATOM     28  C   LIG    1        6.135   1.435   0.468  0.00  0.00    +0.157 C 
BRANCH  28  29
ATOM     29  C   LIG    1        6.494   2.624  -0.318  0.00  0.00    +0.067 C 
ATOM     30  N   LIG    1        6.779   3.579  -0.915  0.00  0.00    -0.196 NA
ENDBRANCH  28  29
ENDBRANCH   2  28
TORSDOF 7