REMARK  Name = BDB028549
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.424  -0.840  -0.981  0.00  0.00    +0.138 C 
ENDROOT
BRANCH   1  13
ATOM      2  O   LIG    1        2.467  -2.686  -1.072  0.00  0.00    -0.252 OA
ATOM      3  C   LIG    1        2.740  -1.557  -0.663  0.00  0.00    +0.307 C 
ATOM      4  N   LIG    1        4.024  -1.187  -0.335  0.00  0.00    -0.255 N 
ATOM      5  C   LIG    1        4.520  -0.094   0.401  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1        5.919  -0.136   0.411  0.00  0.00    -0.024 A 
ATOM      7  C   LIG    1        6.671   0.828   1.067  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        5.998   1.841   1.747  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        4.596   1.873   1.765  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        6.431  -1.294  -0.386  0.00  0.00    +0.056 C 
ATOM     11  C   LIG    1        3.848   0.899   1.094  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        5.145  -2.084  -0.636  0.00  0.00    +0.120 C 
ATOM     13  N   LIG    1        1.786  -0.585  -0.544  0.00  0.00    -0.296 N 
ATOM     14  H   LIG    1        2.124   0.334  -0.802  0.00  0.00    +0.150 HD
ENDBRANCH   1  13
BRANCH   1  15
ATOM     15  C   LIG    1       -0.501   0.310  -0.574  0.00  0.00    +0.146 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -0.029   1.530  -1.176  0.00  0.00    -0.389 OA
ATOM     17  H   LIG    1       -0.822   2.104  -1.212  0.00  0.00    +0.210 HD
ENDBRANCH  15  16
BRANCH  15  18
ATOM     18  C   LIG    1       -1.950   0.050  -1.037  0.00  0.00    +0.117 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.801   1.248  -0.838  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1       -3.187   1.445   0.576  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1       -4.255   0.502   1.087  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1       -5.144  -0.133   0.200  0.00  0.00    -0.042 A 
ATOM     23  C   LIG    1       -6.147  -0.973   0.702  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -6.282  -1.166   2.076  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.416  -0.524   2.958  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.979   0.036  -1.290  0.00  0.00    +0.051 C 
ATOM     27  C   LIG    1       -4.410   0.308   2.468  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -4.029   1.186  -1.655  0.00  0.00    +0.089 C 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 5