REMARK  Name = BDB050266
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.792  -0.633  -0.737  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1       -2.901  -1.477  -0.063  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -1.593  -1.062   0.211  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -1.159   0.200  -0.192  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -2.045   1.041  -0.869  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -3.350   0.630  -1.145  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -5.216  -1.065  -0.990  0.00  0.00    +0.078 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -6.240  -0.361  -0.083  0.00  0.00    +0.230 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -6.194  -1.002   1.318  0.00  0.00    +0.334 C 
ATOM     10  O   LIG    1       -6.998  -1.819   1.743  0.00  0.00    -0.248 OA
BRANCH   9  11
ATOM     11  O   LIG    1       -5.169  -0.560   2.090  0.00  0.00    -0.479 OA
ATOM     12  H   LIG    1       -4.557   0.060   1.645  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   8   9
BRANCH   8  13
ATOM     13  O   LIG    1       -7.511  -0.509  -0.726  0.00  0.00    -0.365 OA
BRANCH  13  15
ATOM     14  C   LIG    1       -8.985   0.609   0.893  0.00  0.00    +0.034 C 
ATOM     15  C   LIG    1       -8.423   0.567  -0.515  0.00  0.00    +0.157 C 
ENDBRANCH  13  15
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  O   LIG    1        0.081   0.732   0.020  0.00  0.00    -0.491 OA
BRANCH  16  17
ATOM     17  C   LIG    1        1.078  -0.133   0.571  0.00  0.00    +0.244 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.419   0.623   0.663  0.00  0.00    +0.125 C 
BRANCH  18  19
ATOM     19  N   LIG    1        2.995   1.010  -0.642  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1        4.025   2.050  -0.499  0.00  0.00    +0.089 C 
ATOM     21  C   LIG    1        5.298   1.579   0.229  0.00  0.00    +0.052 C 
ATOM     22  C   LIG    1        5.749   0.202  -0.203  0.00  0.00    -0.022 C 
ATOM     23  C   LIG    1        4.928  -0.551  -0.964  0.00  0.00    -0.006 C 
ATOM     24  C   LIG    1        3.551  -0.126  -1.392  0.00  0.00    +0.112 C 
BRANCH  22  25
ATOM     25  C   LIG    1        7.089  -0.284   0.207  0.00  0.00    +0.085 A 
ATOM     26  N   LIG    1        7.511  -1.455  -0.340  0.00  0.00    -0.252 NA
ATOM     27  C   LIG    1        8.735  -1.894   0.034  0.00  0.00    +0.131 A 
ATOM     28  C   LIG    1        9.531  -1.203   0.928  0.00  0.00    +0.130 A 
ATOM     29  N   LIG    1        9.138  -0.042   1.490  0.00  0.00    -0.260 NA
ATOM     30  C   LIG    1        7.908   0.395   1.110  0.00  0.00    +0.138 A 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 11