REMARK  Name = BDB050329
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.666   0.237   1.686  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1       -1.590   0.421   0.804  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -0.365  -0.223   1.026  0.00  0.00    -0.000 A 
ATOM      4  C   LIG    1       -0.213  -1.051   2.143  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -1.280  -1.239   3.022  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.500  -0.601   2.795  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.743  -0.004   0.068  0.00  0.00    +0.091 C 
ATOM      8  C   LIG    1        2.042  -0.727   0.179  0.00  0.00    +0.111 C 
ATOM      9  C   LIG    1        2.560  -0.448  -1.216  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1        1.919   0.781  -1.593  0.00  0.00    -0.385 OA
ATOM     11  N   LIG    1        0.677   0.842  -0.913  0.00  0.00    -0.088 NA
BRANCH   9  12
ATOM     12  C   LIG    1        4.067  -0.357  -1.266  0.00  0.00    -0.004 A 
ATOM     13  C   LIG    1        4.830  -1.521  -1.426  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        6.226  -1.457  -1.449  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        6.886  -0.235  -1.310  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1        6.136   0.927  -1.144  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        4.737   0.866  -1.120  0.00  0.00    +0.011 A 
BRANCH  15  18
ATOM     18  O   LIG    1        8.251  -0.315  -1.349  0.00  0.00    -0.495 OA
ATOM     19  C   LIG    1        8.968   0.908  -1.247  0.00  0.00    +0.277 C 
ENDBRANCH  15  18
ENDBRANCH   9  12
ENDBRANCH   3   7
BRANCH   1  20
ATOM     20  C   LIG    1       -3.988   0.921   1.431  0.00  0.00    +0.078 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.837   0.233   0.351  0.00  0.00    +0.230 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -5.338  -1.115   0.876  0.00  0.00    +0.334 C 
ATOM     23  O   LIG    1       -5.772  -1.366   1.989  0.00  0.00    -0.248 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -5.293  -2.086  -0.064  0.00  0.00    -0.479 OA
ATOM     25  H   LIG    1       -5.652  -2.872   0.399  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  21  22
BRANCH  21  26
ATOM     26  O   LIG    1       -5.909   1.121   0.017  0.00  0.00    -0.365 OA
BRANCH  26  28
ATOM     27  C   LIG    1       -7.636   1.801  -1.480  0.00  0.00    +0.034 C 
ATOM     28  C   LIG    1       -6.587   0.748  -1.181  0.00  0.00    +0.157 C 
ENDBRANCH  26  28
ENDBRANCH  21  26
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 9