REMARK  Name = BDB026453
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.954  -1.238  -1.326  0.00  0.00    -0.280 N 
ATOM      2  C   LIG    1       -1.859  -0.377  -1.335  0.00  0.00    +0.305 C 
ATOM      3  O   LIG    1       -1.752   0.659  -1.970  0.00  0.00    -0.252 OA
ATOM      4  N   LIG    1       -0.894  -0.925  -0.484  0.00  0.00    -0.281 N 
ATOM      5  C   LIG    1       -1.270  -2.268  -0.100  0.00  0.00    +0.128 C 
ATOM      6  C   LIG    1       -2.773  -2.288  -0.348  0.00  0.00    +0.128 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -4.234  -0.914  -1.917  0.00  0.00    +0.144 C 
BRANCH   7  13
ATOM      8  C   LIG    1       -5.642   3.003   0.920  0.00  0.00    +0.045 C 
ATOM      9  C   LIG    1       -5.882   1.589   0.465  0.00  0.00    -0.033 A 
ATOM     10  C   LIG    1       -6.957   0.827   0.957  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1       -7.143  -0.489   0.512  0.00  0.00    +0.019 A 
ATOM     12  C   LIG    1       -6.269  -1.054  -0.419  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1       -5.196  -0.309  -0.921  0.00  0.00    -0.030 A 
ATOM     14  C   LIG    1       -5.011   1.009  -0.471  0.00  0.00    +0.009 A 
BRANCH  10  15
ATOM     15  C   LIG    1       -7.879   1.365   1.918  0.00  0.00    +0.099 C 
ATOM     16  N   LIG    1       -8.628   1.792   2.695  0.00  0.00    -0.191 NA
ENDBRANCH  10  15
ENDBRANCH   7  13
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  C   LIG    1        0.482  -0.449  -0.458  0.00  0.00    +0.142 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.325  -0.983  -1.634  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  O   LIG    1        1.671  -2.359  -1.418  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1        2.121  -2.385  -0.556  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        2.595  -0.131  -1.857  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.506  -0.088  -0.693  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        4.190   1.214  -0.617  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        5.176   1.261   0.526  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        6.055   0.176   0.671  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        7.030   0.189   1.670  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        7.116   1.278   2.538  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.239   2.356   2.401  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.921  -0.944  -0.322  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        5.274   2.353   1.393  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        4.440  -1.237  -0.646  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 8