REMARK  Name = BDB047986
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.801  -0.181  -2.040  0.00  0.00    +0.125 A 
ATOM      2  C   LIG    1        0.767  -1.137  -2.053  0.00  0.00    +0.011 A 
ATOM      3  C   LIG    1        0.219  -1.539  -3.284  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1        0.693  -1.012  -4.483  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        1.721  -0.076  -4.466  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        2.273   0.338  -3.251  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        2.274   0.176  -0.805  0.00  0.00    -0.492 OA
BRANCH   7   8
ATOM      8  C   LIG    1        3.252   1.210  -0.741  0.00  0.00    +0.229 C 
BRANCH   8   9
ATOM      9  C   LIG    1        3.565   1.530   0.724  0.00  0.00    +0.044 C 
BRANCH   9  11
ATOM     10  C   LIG    1        3.430  -0.779   1.812  0.00  0.00    +0.007 C 
ATOM     11  C   LIG    1        4.312   0.443   1.531  0.00  0.00    -0.010 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.649  -0.020   0.912  0.00  0.00    +0.014 C 
BRANCH  12  13
ATOM     13  C   LIG    1        6.663   1.092   0.643  0.00  0.00    +0.121 C 
BRANCH  13  14
ATOM     14  C   LIG    1        7.165   1.747   1.902  0.00  0.00    +0.305 C 
ATOM     15  O   LIG    1        7.175   1.281   3.027  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  O   LIG    1        7.675   2.972   1.663  0.00  0.00    -0.481 OA
ATOM     17  H   LIG    1        7.984   3.275   2.543  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   2  18
ATOM     18  C   LIG    1        0.215  -1.739  -0.777  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -1.052  -1.139  -0.355  0.00  0.00    -0.296 N 
ATOM     20  C   LIG    1       -2.233  -1.802  -0.675  0.00  0.00    +0.247 C 
ATOM     21  O   LIG    1       -2.285  -2.822  -1.360  0.00  0.00    -0.270 OA
ATOM     22  C   LIG    1       -0.974   0.200   0.219  0.00  0.00    +0.132 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -3.514  -1.278  -0.160  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1       -3.751  -1.210   1.215  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1       -4.982  -0.739   1.681  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -5.994  -0.347   0.787  0.00  0.00    +0.017 A 
ATOM     27  C   LIG    1       -5.742  -0.448  -0.592  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1       -4.512  -0.917  -1.066  0.00  0.00    +0.014 A 
BRANCH  26  29
ATOM     29  C   LIG    1       -7.283   0.143   1.272  0.00  0.00    +0.135 A 
ATOM     30  O   LIG    1       -7.403   0.305   2.626  0.00  0.00    -0.463 OA
ATOM     31  C   LIG    1       -8.656   0.761   2.874  0.00  0.00    +0.196 A 
ATOM     32  C   LIG    1       -9.357   0.901   1.701  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -8.473   0.504   0.667  0.00  0.00    +0.050 A 
ENDBRANCH  26  29
ENDBRANCH  20  23
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 12