REMARK  Name = BDB024472
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.207   0.930   2.008  0.00  0.00    +0.146 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        0.686   1.442   3.019  0.00  0.00    -0.389 OA
ATOM      3  H   LIG    1        0.824   0.732   3.671  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1        0.441  -0.296   1.352  0.00  0.00    +0.138 C 
BRANCH   4  17
ATOM      5  O   LIG    1        2.098  -2.058   0.023  0.00  0.00    -0.253 OA
ATOM      6  C   LIG    1        2.494  -0.905   0.168  0.00  0.00    +0.303 C 
ATOM      7  N   LIG    1        3.736  -0.470  -0.266  0.00  0.00    -0.281 N 
ATOM      8  C   LIG    1        4.561  -1.467  -0.941  0.00  0.00    +0.144 C 
ATOM      9  C   LIG    1        5.999  -1.047  -1.152  0.00  0.00    -0.027 A 
ATOM     10  C   LIG    1        6.436   0.261  -0.875  0.00  0.00    -0.041 A 
ATOM     11  C   LIG    1        7.778   0.606  -1.084  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        8.677  -0.332  -1.590  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        8.245  -1.623  -1.883  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        5.479   1.272  -0.298  0.00  0.00    +0.054 C 
ATOM     15  C   LIG    1        6.914  -1.979  -1.665  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        4.027   0.921  -0.614  0.00  0.00    +0.114 C 
ATOM     17  N   LIG    1        1.740   0.053   0.792  0.00  0.00    -0.297 N 
ATOM     18  H   LIG    1        2.280   0.686   1.366  0.00  0.00    +0.150 HD
ENDBRANCH   4  17
ENDBRANCH   1   4
BRANCH   1  19
ATOM     19  C   LIG    1       -1.572   0.612   2.657  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -2.592   0.065   1.751  0.00  0.00    -0.294 NA
ATOM     21  C   LIG    1       -2.975   1.048   0.707  0.00  0.00    +0.138 C 
ATOM     22  C   LIG    1       -4.178   0.575  -0.032  0.00  0.00    +0.034 A 
ATOM     23  N   LIG    1       -4.616   1.058  -1.233  0.00  0.00    -0.357 N 
ATOM     24  H   LIG    1       -4.167   1.778  -1.780  0.00  0.00    +0.166 HD
ATOM     25  C   LIG    1       -5.779   0.410  -1.600  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1       -6.075  -0.519  -0.597  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -7.221  -1.325  -0.739  0.00  0.00    +0.010 A 
ATOM     28  C   LIG    1       -8.032  -1.173  -1.870  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -7.714  -0.237  -2.852  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -6.580   0.573  -2.736  0.00  0.00    +0.026 A 
ATOM     31  C   LIG    1       -5.056  -0.402   0.384  0.00  0.00    -0.017 A 
ATOM     32  C   LIG    1       -4.824  -1.137   1.655  0.00  0.00    +0.053 C 
ATOM     33  C   LIG    1       -3.783  -0.384   2.524  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 5