REMARK  Name = BDB026452
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.775  -1.242  -0.147  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        1.706  -0.528   0.370  0.00  0.00    +0.305 C 
ATOM      3  O   LIG    1        1.321   0.561  -0.021  0.00  0.00    -0.252 OA
ATOM      4  N   LIG    1        1.166  -1.280   1.420  0.00  0.00    -0.281 N 
ATOM      5  C   LIG    1        2.095  -2.329   1.792  0.00  0.00    +0.128 C 
ATOM      6  C   LIG    1        3.021  -2.458   0.590  0.00  0.00    +0.128 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        3.650  -0.765  -1.198  0.00  0.00    +0.164 C 
BRANCH   7  10
ATOM      8  C   LIG    1        7.114  -0.187  -0.043  0.00  0.00    +0.140 A 
ATOM      9  N   LIG    1        6.021  -0.800  -0.562  0.00  0.00    -0.240 NA
ATOM     10  C   LIG    1        4.877  -0.073  -0.648  0.00  0.00    +0.060 A 
ATOM     11  C   LIG    1        4.798   1.248  -0.207  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1        5.934   1.853   0.322  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1        7.117   1.127   0.407  0.00  0.00    +0.039 A 
BRANCH   8  15
ATOM     14  N   LIG    1        9.286  -1.607   0.112  0.00  0.00    -0.189 NA
ATOM     15  C   LIG    1        8.306  -0.987   0.032  0.00  0.00    +0.119 C 
ENDBRANCH   8  15
ENDBRANCH   7  10
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  C   LIG    1        0.255  -0.721   2.407  0.00  0.00    +0.142 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -0.983  -0.001   1.849  0.00  0.00    +0.146 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -1.834   0.361   2.951  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1       -2.714   0.501   2.541  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1       -1.795  -0.888   0.880  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.095  -0.265   0.521  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1       -2.889   0.898  -0.375  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -4.172   1.458  -0.955  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -5.346   0.686  -0.998  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -6.511   1.219  -1.564  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -6.506   2.502  -2.109  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -5.339   3.263  -2.088  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.363  -0.687  -0.378  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1       -4.177   2.743  -1.516  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -3.953  -1.250  -0.163  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 8