REMARK  Name = BDB064743
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.877  -2.438   1.913  0.00  0.00    +0.044 A 
ATOM      2  C   LIG    1       -2.151  -1.924   1.568  0.00  0.00    -0.004 A 
ATOM      3  C   LIG    1       -3.308  -2.656   1.872  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1       -3.211  -3.892   2.507  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -1.959  -4.395   2.835  0.00  0.00    +0.119 A 
ATOM      6  C   LIG    1       -0.796  -3.684   2.545  0.00  0.00    +0.069 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        2.049  -2.930   2.424  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.590  -1.959   1.836  0.00  0.00    +0.241 C 
ATOM      9  N   LIG    1        0.268  -1.663   1.605  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1        0.075  -0.762   1.188  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1        2.529  -0.909   1.349  0.00  0.00    +0.068 C 
ATOM     12  C   LIG    1        2.353  -0.234   0.202  0.00  0.00    +0.013 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.272   0.804  -0.283  0.00  0.00    -0.025 A 
ATOM     14  C   LIG    1        2.739   1.928  -0.926  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1        3.578   2.928  -1.423  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        4.960   2.808  -1.291  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.503   1.686  -0.667  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        4.664   0.686  -0.170  0.00  0.00    +0.008 A 
ENDBRANCH  12  13
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  C   LIG    1       -2.325  -0.636   0.878  0.00  0.00    +0.010 C 
ATOM     20  C   LIG    1       -2.032  -0.500  -0.425  0.00  0.00    +0.009 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.124   0.766  -1.163  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1       -2.500   0.738  -2.512  0.00  0.00    +0.053 A 
ATOM     23  C   LIG    1       -2.551   1.919  -3.251  0.00  0.00    +0.121 A 
ATOM     24  C   LIG    1       -2.219   3.141  -2.676  0.00  0.00    +0.090 A 
ATOM     25  C   LIG    1       -1.829   3.164  -1.341  0.00  0.00    +0.121 A 
ATOM     26  C   LIG    1       -1.775   1.994  -0.586  0.00  0.00    +0.053 A 
BRANCH  23  27
ATOM     27  O   LIG    1       -2.933   1.827  -4.557  0.00  0.00    -0.507 OA
ATOM     28  H   LIG    1       -2.942   2.714  -4.951  0.00  0.00    +0.292 HD
ENDBRANCH  23  27
BRANCH  25  29
ATOM     29  O   LIG    1       -1.475   4.327  -0.723  0.00  0.00    -0.507 OA
ATOM     30  H   LIG    1       -1.603   5.067  -1.339  0.00  0.00    +0.292 HD
ENDBRANCH  25  29
ENDBRANCH  20  21
ENDBRANCH   2  19
BRANCH   5  31
ATOM     31  O   LIG    1       -1.908  -5.611   3.454  0.00  0.00    -0.507 OA
ATOM     32  H   LIG    1       -0.976  -5.829   3.624  0.00  0.00    +0.292 HD
ENDBRANCH   5  31
TORSDOF 8