REMARK  Name = BDB017074
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.095   1.373  -1.036  0.00  0.00    -0.336 N 
ATOM      2  C   LIG    1        0.974   0.378  -1.352  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        2.055   0.571  -0.517  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        1.843   1.675   0.288  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        0.662   2.136  -0.056  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.254  -0.257  -0.478  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        3.308  -1.305  -1.341  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        4.414  -2.075  -1.310  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        5.481  -1.855  -0.457  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        5.417  -0.776   0.426  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        4.279   0.037   0.412  0.00  0.00    +0.041 A 
BRANCH  10  12
ATOM     12  C   LIG    1        6.516  -0.508   1.341  0.00  0.00    +0.204 A 
ATOM     13  N   LIG    1        6.550   0.502   2.228  0.00  0.00    -0.133 NA
ATOM     14  N   LIG    1        7.748   0.286   2.790  0.00  0.00    -0.176 N 
ATOM     15  H   LIG    1        8.114   0.881   3.528  0.00  0.00    +0.214 HD
ATOM     16  N   LIG    1        8.437  -0.760   2.323  0.00  0.00    -0.049 NA
ATOM     17  N   LIG    1        7.655  -1.282   1.388  0.00  0.00    -0.108 NA
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  C   LIG    1       -1.195   1.601  -1.654  0.00  0.00    +0.126 C 
BRANCH  18  24
ATOM     19  C   LIG    1       -6.150  -1.301   1.620  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -5.950  -1.083   0.258  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -4.802  -0.420  -0.200  0.00  0.00    -0.044 A 
ATOM     22  C   LIG    1       -4.606  -0.234  -1.683  0.00  0.00    +0.036 C 
ATOM     23  C   LIG    1       -3.561   0.828  -2.019  0.00  0.00    +0.010 C 
ATOM     24  C   LIG    1       -2.278   0.605  -1.208  0.00  0.00    +0.013 C 
ATOM     25  C   LIG    1       -2.588   0.738   0.294  0.00  0.00    +0.040 C 
ATOM     26  C   LIG    1       -3.833   0.003   0.726  0.00  0.00    -0.044 A 
ATOM     27  C   LIG    1       -4.050  -0.215   2.096  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -5.201  -0.865   2.539  0.00  0.00    +0.000 A 
ENDBRANCH  18  24
ENDBRANCH   1  18
TORSDOF 4