REMARK  Name = BDB017070
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.216  -1.608  -1.471  0.00  0.00    -0.336 N 
ATOM      2  C   LIG    1        0.354  -1.135  -0.325  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        1.646  -0.798  -0.675  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        1.864  -1.075  -2.012  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        0.729  -1.567  -2.455  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.647  -0.232   0.220  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        2.279  -0.029   1.512  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        3.200   0.496   2.344  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        4.483   0.833   1.956  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        4.855   0.622   0.626  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        3.916   0.078  -0.255  0.00  0.00    +0.041 A 
BRANCH  10  12
ATOM     12  C   LIG    1        6.195   0.963   0.174  0.00  0.00    +0.204 A 
ATOM     13  N   LIG    1        6.649   0.799  -1.081  0.00  0.00    -0.133 NA
ATOM     14  N   LIG    1        7.900   1.258  -0.945  0.00  0.00    -0.176 N 
ATOM     15  H   LIG    1        8.556   1.283  -1.721  0.00  0.00    +0.214 HD
ATOM     16  N   LIG    1        8.241   1.684   0.276  0.00  0.00    -0.049 NA
ATOM     17  N   LIG    1        7.152   1.499   1.008  0.00  0.00    -0.108 NA
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  C   LIG    1       -1.573  -2.097  -1.618  0.00  0.00    +0.127 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.529  -1.060  -2.214  0.00  0.00    +0.057 C 
BRANCH  19  24
ATOM     20  C   LIG    1       -5.884  -0.324   1.774  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -5.142   0.847   1.635  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -4.157   0.967   0.640  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1       -3.903  -0.112  -0.245  0.00  0.00    -0.015 A 
ATOM     24  C   LIG    1       -2.897   0.044  -1.241  0.00  0.00    -0.038 A 
ATOM     25  C   LIG    1       -2.178   1.250  -1.324  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -2.439   2.297  -0.448  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -4.675  -1.287  -0.077  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1       -3.423   2.156   0.525  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1       -5.651  -1.391   0.918  0.00  0.00    +0.001 A 
ENDBRANCH  19  24
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 5