REMARK  Name = BDB002460
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.353   0.942  -0.087  0.00  0.00    -0.143 N 
ATOM      2  C   LIG    1        2.465  -0.356   0.469  0.00  0.00    +0.301 A 
ATOM      3  O   LIG    1        1.545  -1.034   0.923  0.00  0.00    -0.263 OA
ATOM      4  C   LIG    1        3.812  -0.842   0.485  0.00  0.00    +0.131 A 
ATOM      5  N   LIG    1        4.261  -2.065   0.900  0.00  0.00    -0.349 N 
ATOM      6  H   LIG    1        3.672  -2.805   1.260  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1        5.633  -2.128   0.758  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        6.059  -0.897   0.247  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        7.434  -0.698   0.012  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        8.347  -1.727   0.302  0.00  0.00    -0.050 A 
ATOM     11  C   LIG    1        9.810  -1.534   0.024  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        7.881  -2.949   0.799  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1        6.521  -3.171   1.042  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1        4.894  -0.112   0.088  0.00  0.00    +0.081 A 
ATOM     15  N   LIG    1        4.713   1.169  -0.354  0.00  0.00    -0.304 N 
ATOM     16  H   LIG    1        5.505   1.739  -0.617  0.00  0.00    +0.171 HD
ATOM     17  C   LIG    1        3.464   1.752  -0.430  0.00  0.00    +0.351 A 
ATOM     18  O   LIG    1        3.394   2.928  -0.801  0.00  0.00    -0.245 OA
ENDROOT
BRANCH   1  20
ATOM     19  C   LIG    1        0.059   0.910  -0.410  0.00  0.00    +0.141 C 
ATOM     20  N   LIG    1        1.121   1.601  -0.145  0.00  0.00    -0.167 NA
BRANCH  19  24
ATOM     21  C   LIG    1       -3.833   2.698  -0.531  0.00  0.00    +0.125 A 
ATOM     22  C   LIG    1       -3.682   1.314  -0.753  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1       -2.390   0.750  -0.723  0.00  0.00    +0.018 A 
ATOM     24  C   LIG    1       -1.276   1.542  -0.444  0.00  0.00    -0.005 A 
ATOM     25  C   LIG    1       -1.433   2.906  -0.207  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1       -2.706   3.481  -0.253  0.00  0.00    +0.046 A 
BRANCH  21  28
ATOM     27  C   LIG    1       -5.300   4.578  -0.397  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1       -5.112   3.184  -0.607  0.00  0.00    -0.495 OA
ENDBRANCH  21  28
BRANCH  22  29
ATOM     29  C   LIG    1       -4.874   0.430  -1.087  0.00  0.00    +0.123 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -4.846  -0.878  -0.403  0.00  0.00    -0.294 NA
ATOM     31  C   LIG    1       -5.113  -0.760   1.050  0.00  0.00    +0.113 C 
ATOM     32  C   LIG    1       -6.561  -1.099   1.438  0.00  0.00    +0.175 C 
ATOM     33  O   LIG    1       -6.950  -2.429   1.066  0.00  0.00    -0.377 OA
ATOM     34  C   LIG    1       -6.239  -2.924  -0.077  0.00  0.00    +0.175 C 
ATOM     35  C   LIG    1       -5.812  -1.802  -1.035  0.00  0.00    +0.113 C 
ENDBRANCH  29  30
ENDBRANCH  22  29
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 5