REMARK  Name = BDB002571
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.445   0.233  -1.261  0.00  0.00    +0.007 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.385  -0.905  -1.865  0.00  0.00    +0.041 C 
BRANCH   2   3
ATOM      3  C   LIG    1       -1.772  -1.006  -1.231  0.00  0.00    +0.229 C 
BRANCH   3   4
ATOM      4  O   LIG    1       -2.504   0.180  -1.536  0.00  0.00    -0.492 OA
BRANCH   4   8
ATOM      5  C   LIG    1       -6.385   0.746  -0.111  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1       -5.719   1.722  -0.858  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1       -4.419   1.484  -1.314  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -3.769   0.280  -1.027  0.00  0.00    +0.121 A 
ATOM      9  C   LIG    1       -4.431  -0.690  -0.274  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -5.732  -0.455   0.185  0.00  0.00    +0.015 A 
BRANCH   5  13
ATOM     11  N   LIG    1       -8.240   0.236   1.341  0.00  0.00    -0.285 NA
ATOM     12  H   LIG    1       -9.185   0.535   1.583  0.00  0.00    +0.188 HD
ATOM     13  C   LIG    1       -7.778   0.970   0.382  0.00  0.00    +0.116 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -8.571   1.930  -0.180  0.00  0.00    -0.343 N 
ATOM     15  H   LIG    1       -9.566   1.818  -0.025  0.00  0.00    +0.144 HD
ATOM     16  H   LIG    1       -8.374   2.149  -1.151  0.00  0.00    +0.144 HD
ENDBRANCH  13  14
ENDBRANCH   5  13
ENDBRANCH   4   8
ENDBRANCH   3   4
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        1.834   0.306  -1.902  0.00  0.00    +0.041 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.675   1.448  -1.329  0.00  0.00    +0.229 C 
BRANCH  18  19
ATOM     19  O   LIG    1        2.859   1.318   0.080  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1        3.875   0.537   0.551  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        4.787  -0.191  -0.214  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        5.781  -0.956   0.410  0.00  0.00    +0.015 A 
ATOM     23  C   LIG    1        5.864  -0.996   1.805  0.00  0.00    +0.014 A 
ATOM     24  C   LIG    1        4.957  -0.266   2.576  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1        3.967   0.493   1.946  0.00  0.00    +0.046 A 
BRANCH  23  26
ATOM     26  C   LIG    1        6.923  -1.796   2.477  0.00  0.00    +0.116 C 
ATOM     27  N   LIG    1        7.360  -2.918   2.003  0.00  0.00    -0.285 NA
ATOM     28  H   LIG    1        6.845  -3.191   1.161  0.00  0.00    +0.188 HD
BRANCH  26  29
ATOM     29  N   LIG    1        7.484  -1.353   3.637  0.00  0.00    -0.343 N 
ATOM     30  H   LIG    1        7.620  -0.351   3.708  0.00  0.00    +0.144 HD
ATOM     31  H   LIG    1        8.327  -1.877   3.852  0.00  0.00    +0.144 HD
ENDBRANCH  26  29
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 12