REMARK  Name = BDB021841
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.932  -0.283  -0.977  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.585  -1.195  -0.142  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.926  -1.355  -0.410  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -3.384  -0.541  -0.815  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -0.999  -1.786   0.761  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1        3.052   0.068   0.660  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1        2.897  -0.560  -0.661  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1        1.467  -1.053  -0.888  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        0.472   0.095  -0.700  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1        0.670   0.756   0.668  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1        2.127   1.196   0.836  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1        4.469   0.369   0.974  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        5.021   1.617   0.274  0.00  0.00    +0.024 C 
BRANCH  12  14
ATOM     14  C   LIG    1        4.653   0.439   2.510  0.00  0.00    +0.018 C 
BRANCH  14  16
ATOM     15  C   LIG    1        7.000  -0.579   2.596  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1        6.100   0.578   3.002  0.00  0.00    -0.002 C 
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1       -3.825  -2.296   0.159  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1       -5.219  -2.125  -0.016  0.00  0.00    +0.058 A 
ATOM     19  C   LIG    1       -6.117  -3.035   0.570  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1       -5.644  -4.133   1.287  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -4.275  -4.329   1.424  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -3.373  -3.419   0.864  0.00  0.00    +0.024 A 
BRANCH  18  23
ATOM     23  C   LIG    1       -5.749  -0.972  -0.804  0.00  0.00    +0.243 C 
ATOM     24  O   LIG    1       -5.081   0.037  -1.004  0.00  0.00    -0.270 OA
ATOM     25  N   LIG    1       -6.997  -1.090  -1.355  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1       -7.450  -1.984  -1.475  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1       -7.271  -0.348  -1.987  0.00  0.00    +0.145 HD
ENDBRANCH  18  23
ENDBRANCH   3  17
BRANCH   1  28
ATOM     28  C   LIG    1       -1.459   0.132  -2.285  0.00  0.00    +0.144 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.673   1.625  -2.394  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1       -2.450   2.316  -1.453  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -2.653   3.692  -1.570  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -2.086   4.394  -2.632  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -1.320   3.719  -3.580  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -1.117   2.343  -3.464  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 8