REMARK  Name = BDB057831
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.819  -0.279  -0.499  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -1.489  -0.356  -0.234  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -0.648   0.397  -0.965  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -1.147   1.227  -1.932  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1       -0.490   2.174  -2.863  0.00  0.00    +0.122 C 
ATOM      6  N   LIG    1       -1.585   2.946  -3.514  0.00  0.00    -0.306 NA
ATOM      7  H   LIG    1       -1.677   3.820  -2.994  0.00  0.00    +0.123 HD
ATOM      8  C   LIG    1       -2.830   2.167  -3.261  0.00  0.00    +0.137 C 
ATOM      9  C   LIG    1       -2.503   1.222  -2.142  0.00  0.00    +0.065 A 
ATOM     10  N   LIG    1       -3.378   0.482  -1.459  0.00  0.00    -0.230 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -4.872  -0.691   0.963  0.00  0.00    -0.034 A 
ATOM     12  C   LIG    1       -3.707  -1.150   0.291  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1       -3.384  -2.523   0.375  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -4.189  -3.429   1.065  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -5.344  -2.982   1.689  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -5.682  -1.630   1.638  0.00  0.00    +0.004 A 
BRANCH  11  18
ATOM     17  C   LIG    1       -5.577   1.299   2.394  0.00  0.00    +0.012 C 
ATOM     18  C   LIG    1       -5.272   0.783   0.981  0.00  0.00    +0.014 C 
ATOM     19  C   LIG    1       -6.460   1.034   0.049  0.00  0.00    +0.012 C 
ENDBRANCH  11  18
ENDBRANCH   1  12
BRANCH   3  20
ATOM     20  N   LIG    1        0.729   0.379  -0.710  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1        1.243   0.224  -1.572  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1        1.142  -0.564   0.323  0.00  0.00    +0.138 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.649  -0.524   0.441  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        3.436  -1.580  -0.035  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        4.830  -1.528   0.068  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1        5.477  -0.422   0.643  0.00  0.00    -0.016 A 
ATOM     27  C   LIG    1        4.679   0.635   1.110  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1        3.285   0.587   1.009  0.00  0.00    +0.006 A 
BRANCH  26  29
ATOM     29  C   LIG    1        6.942  -0.372   0.751  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        7.584  -0.089   1.958  0.00  0.00    +0.119 A 
ATOM     31  N   LIG    1        8.928  -0.023   2.126  0.00  0.00    -0.263 NA
ATOM     32  C   LIG    1        9.684  -0.254   1.034  0.00  0.00    +0.111 A 
ATOM     33  C   LIG    1        9.161  -0.546  -0.213  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1        7.774  -0.605  -0.351  0.00  0.00    +0.011 A 
ENDBRANCH  26  29
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 6