REMARK  Name = BDB002709
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.374  -1.019  -0.776  0.00  0.00    -0.268 N 
ATOM      2  C   LIG    1       -1.255  -0.738  -0.047  0.00  0.00    +0.205 A 
ATOM      3  N   LIG    1       -1.046   0.212   0.847  0.00  0.00    -0.196 NA
ATOM      4  C   LIG    1        0.246   0.055   1.242  0.00  0.00    +0.170 A 
ATOM      5  N   LIG    1        0.904   0.812   2.180  0.00  0.00    -0.279 N 
ATOM      6  C   LIG    1        0.214   1.903   2.845  0.00  0.00    +0.155 C 
ATOM      7  C   LIG    1        2.236   0.521   2.483  0.00  0.00    +0.334 A 
ATOM      8  O   LIG    1        2.858   1.165   3.333  0.00  0.00    -0.246 OA
ATOM      9  N   LIG    1        2.835  -0.548   1.787  0.00  0.00    -0.255 N 
ATOM     10  C   LIG    1        2.196  -1.368   0.851  0.00  0.00    +0.283 A 
ATOM     11  O   LIG    1        2.716  -2.337   0.304  0.00  0.00    -0.265 OA
ATOM     12  C   LIG    1        0.853  -0.980   0.603  0.00  0.00    +0.153 A 
ATOM     13  N   LIG    1       -0.099  -1.470  -0.238  0.00  0.00    -0.306 N 
ATOM     14  C   LIG    1        0.021  -2.579  -1.160  0.00  0.00    +0.127 C 
ATOM     15  C   LIG    1       -1.098  -2.567  -2.190  0.00  0.00    +0.041 C 
ATOM     16  C   LIG    1       -2.432  -2.301  -1.498  0.00  0.00    +0.116 C 
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1       -6.266   0.400   0.222  0.00  0.00    +0.124 A 
ATOM     18  C   LIG    1       -5.878   0.306  -1.111  0.00  0.00    +0.093 A 
ATOM     19  C   LIG    1       -4.581  -0.116  -1.434  0.00  0.00    +0.145 A 
ATOM     20  C   LIG    1       -3.655  -0.506  -0.444  0.00  0.00    +0.079 A 
ATOM     21  C   LIG    1       -4.065  -0.382   0.893  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1       -5.351   0.064   1.219  0.00  0.00    +0.047 A 
BRANCH  17  24
ATOM     23  C   LIG    1       -8.455   1.163  -0.303  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1       -7.490   0.806   0.679  0.00  0.00    -0.495 OA
ENDBRANCH  17  24
BRANCH  19  25
ATOM     25  O   LIG    1       -4.270  -0.145  -2.776  0.00  0.00    -0.493 OA
ATOM     26  C   LIG    1       -3.429   0.963  -3.106  0.00  0.00    +0.277 C 
ENDBRANCH  19  25
ENDBRANCH   1  20
BRANCH   9  27
ATOM     27  C   LIG    1        4.234  -0.833   2.069  0.00  0.00    +0.165 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.165  -0.102   1.125  0.00  0.00    -0.027 A 
ATOM     29  C   LIG    1        5.593  -0.704  -0.066  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        6.435  -0.020  -0.947  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        6.871   1.275  -0.650  0.00  0.00    -0.050 A 
ATOM     32  C   LIG    1        7.748   2.022  -1.611  0.00  0.00    +0.044 C 
ATOM     33  C   LIG    1        6.429   1.887   0.528  0.00  0.00    +0.004 A 
ATOM     34  C   LIG    1        5.587   1.204   1.409  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH   9  27
TORSDOF 5