REMARK  Name = BDB026430
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.325  -0.893  -0.831  0.00  0.00    -0.280 N 
ATOM      2  C   LIG    1        2.247  -0.947   0.051  0.00  0.00    +0.305 C 
ATOM      3  O   LIG    1        2.231  -1.472   1.152  0.00  0.00    -0.252 OA
ATOM      4  N   LIG    1        1.175  -0.292  -0.563  0.00  0.00    -0.281 N 
ATOM      5  C   LIG    1        1.485  -0.019  -1.951  0.00  0.00    +0.128 C 
ATOM      6  C   LIG    1        3.007  -0.071  -1.979  0.00  0.00    +0.128 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        4.673  -1.277  -0.476  0.00  0.00    +0.144 C 
BRANCH   7  11
ATOM      8  C   LIG    1        7.013   2.088   0.894  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1        7.238   1.549  -0.376  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1        6.486   0.458  -0.821  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        5.502  -0.108   0.002  0.00  0.00    -0.030 A 
ATOM     12  C   LIG    1        5.280   0.441   1.275  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1        6.032   1.531   1.719  0.00  0.00    +0.019 A 
BRANCH   8  15
ATOM     14  N   LIG    1        8.411   4.116   1.709  0.00  0.00    -0.191 NA
ATOM     15  C   LIG    1        7.785   3.208   1.347  0.00  0.00    +0.099 C 
ENDBRANCH   8  15
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  C   LIG    1       -0.190  -0.403  -0.071  0.00  0.00    +0.142 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -0.870  -1.715  -0.491  0.00  0.00    +0.146 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -1.337  -1.598  -1.850  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1       -2.229  -1.201  -1.764  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1       -2.076  -2.099   0.398  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.246  -1.226   0.136  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1       -3.353  -0.163   1.161  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -4.601   0.683   1.026  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -5.734   0.192   0.357  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -6.891   0.978   0.274  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -6.931   2.236   0.874  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -5.816   2.719   1.556  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.681  -1.151  -0.323  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1       -4.657   1.946   1.635  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -4.498  -2.009   0.147  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 8