REMARK  Name = BDB024471
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.769   1.780  -0.514  0.00  0.00    +0.166 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -1.907   2.460  -1.052  0.00  0.00    -0.387 OA
ATOM      3  H   LIG    1       -2.661   1.852  -0.940  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1        0.471   2.304  -1.260  0.00  0.00    +0.266 C 
BRANCH   4   5
ATOM      5  O   LIG    1        1.696   1.727  -0.782  0.00  0.00    -0.448 OA
BRANCH   5   7
ATOM      6  O   LIG    1        1.211  -0.187  -1.919  0.00  0.00    -0.226 OA
ATOM      7  C   LIG    1        1.961   0.460  -1.197  0.00  0.00    +0.403 C 
ATOM      8  N   LIG    1        3.157  -0.024  -0.701  0.00  0.00    -0.263 N 
ATOM      9  C   LIG    1        3.446  -1.432  -0.927  0.00  0.00    +0.146 C 
ATOM     10  C   LIG    1        4.862  -1.850  -0.600  0.00  0.00    -0.027 A 
ATOM     11  C   LIG    1        5.792  -0.948  -0.054  0.00  0.00    -0.041 A 
ATOM     12  C   LIG    1        7.098  -1.376   0.224  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        7.472  -2.698  -0.013  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        6.550  -3.599  -0.539  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        5.404   0.489   0.173  0.00  0.00    +0.054 C 
ATOM     16  C   LIG    1        5.252  -3.178  -0.832  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1        3.898   0.641   0.367  0.00  0.00    +0.116 C 
ENDBRANCH   5   7
ENDBRANCH   4   5
ENDBRANCH   1   4
BRANCH   1  18
ATOM     18  C   LIG    1       -0.640   2.026   1.008  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -1.643   1.480   1.933  0.00  0.00    -0.294 NA
ATOM     20  C   LIG    1       -2.978   2.088   1.861  0.00  0.00    +0.138 C 
ATOM     21  C   LIG    1       -3.919   1.249   1.071  0.00  0.00    +0.034 A 
ATOM     22  N   LIG    1       -5.134   1.661   0.599  0.00  0.00    -0.357 N 
ATOM     23  H   LIG    1       -5.536   2.579   0.725  0.00  0.00    +0.166 HD
ATOM     24  C   LIG    1       -5.734   0.633  -0.099  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1       -4.872  -0.467  -0.050  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1       -5.255  -1.657  -0.697  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1       -6.483  -1.709  -1.367  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -7.323  -0.598  -1.398  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -6.965   0.596  -0.764  0.00  0.00    +0.026 A 
ATOM     30  C   LIG    1       -3.733  -0.065   0.698  0.00  0.00    -0.017 A 
ATOM     31  C   LIG    1       -2.490  -0.799   1.055  0.00  0.00    +0.053 C 
ATOM     32  C   LIG    1       -1.653   0.011   2.078  0.00  0.00    +0.089 C 
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6