REMARK  Name = BDB028536
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.855   1.656   1.966  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -1.032   0.455   2.154  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1       -2.121  -0.218   1.669  0.00  0.00    -0.284 N 
ATOM      4  C   LIG    1       -3.131   0.474   0.882  0.00  0.00    +0.128 C 
ATOM      5  C   LIG    1       -3.863  -0.639   0.101  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -3.771  -1.801   1.105  0.00  0.00    +0.039 C 
ATOM      7  C   LIG    1       -2.373  -1.649   1.686  0.00  0.00    +0.111 C 
ATOM      8  N   LIG    1       -0.122  -0.320   2.819  0.00  0.00    -0.297 N 
ATOM      9  H   LIG    1       -0.532  -1.106   3.298  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   5  10
ATOM     10  N   LIG    1       -5.239  -0.317  -0.307  0.00  0.00    -0.294 NA
ATOM     11  C   LIG    1       -5.320   0.828  -1.243  0.00  0.00    +0.113 C 
ATOM     12  C   LIG    1       -5.519   0.411  -2.710  0.00  0.00    +0.175 C 
ATOM     13  O   LIG    1       -6.710  -0.357  -2.925  0.00  0.00    -0.377 OA
ATOM     14  C   LIG    1       -7.127  -1.083  -1.762  0.00  0.00    +0.175 C 
ATOM     15  C   LIG    1       -5.946  -1.491  -0.869  0.00  0.00    +0.113 C 
ENDBRANCH   5  10
BRANCH   8  16
ATOM     16  C   LIG    1        1.053   0.247   3.476  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.087   0.935   2.554  0.00  0.00    +0.146 C 
BRANCH  17  18
ATOM     18  O   LIG    1        1.673   2.277   2.266  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1        0.721   2.239   2.023  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1        2.343   0.141   1.250  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.675   0.351   0.631  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1        3.811  -0.540  -0.541  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1        5.072  -0.317  -1.346  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        5.771   0.899  -1.266  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1        6.917   1.098  -2.048  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        7.352   0.105  -2.925  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.651  -1.094  -3.022  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.326   1.956  -0.290  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1        5.515  -1.304  -2.240  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        3.889   1.746   0.212  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   8  16
TORSDOF 6