REMARK  Name = BDB058668
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.156  -0.935   3.579  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        1.858  -0.498   2.334  0.00  0.00    +0.069 C 
ATOM      3  C   LIG    1        1.178   0.028   1.136  0.00  0.00    +0.065 C 
ATOM      4  C   LIG    1       -0.150   0.153   1.044  0.00  0.00    +0.061 C 
ATOM      5  C   LIG    1        2.283   0.306   0.183  0.00  0.00    +0.272 C 
ATOM      6  O   LIG    1        2.171   0.735  -0.950  0.00  0.00    -0.268 OA
ATOM      7  N   LIG    1        3.427  -0.061   0.916  0.00  0.00    -0.156 N 
ATOM      8  N   LIG    1        3.154  -0.542   2.195  0.00  0.00    -0.177 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        4.781  -0.007   0.497  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1        5.149   0.454  -0.774  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        6.494   0.499  -1.165  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        7.500   0.082  -0.290  0.00  0.00    +0.059 A 
ATOM     13  C   LIG    1        7.151  -0.380   0.981  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1        5.805  -0.423   1.366  0.00  0.00    +0.026 A 
BRANCH  12  15
ATOM     15  C   LIG    1        8.909   0.148  -0.748  0.00  0.00    +0.337 C 
ATOM     16  O   LIG    1        9.287   0.537  -1.837  0.00  0.00    -0.245 OA
BRANCH  15  17
ATOM     17  O   LIG    1        9.781  -0.279   0.182  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1       10.653  -0.179  -0.254  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  12  15
ENDBRANCH   7   9
BRANCH   4  19
ATOM     19  C   LIG    1       -0.869   0.667  -0.067  0.00  0.00    +0.129 A 
ATOM     20  O   LIG    1       -2.106   0.159  -0.402  0.00  0.00    -0.455 OA
ATOM     21  C   LIG    1       -2.615   0.880  -1.435  0.00  0.00    +0.136 A 
ATOM     22  C   LIG    1       -1.710   1.841  -1.819  0.00  0.00    +0.050 A 
ATOM     23  C   LIG    1       -0.609   1.718  -0.938  0.00  0.00    +0.050 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -3.920   0.467  -1.925  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1       -5.027   0.252  -1.077  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1       -6.237  -0.180  -1.657  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -6.361  -0.373  -3.034  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -5.274  -0.140  -3.864  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -4.064   0.277  -3.313  0.00  0.00    +0.012 A 
BRANCH  25  30
ATOM     30  P   LIG    1       -4.947   0.516   0.682  0.00  0.00    +0.111 P 
ATOM     31  O   LIG    1       -4.110   1.669   1.183  0.00  0.00    -0.317 OA
ATOM     32  C   LIG    1       -6.611   0.731   1.357  0.00  0.00    +0.086 C 
ATOM     33  C   LIG    1       -4.449  -1.022   1.476  0.00  0.00    +0.086 C 
ENDBRANCH  25  30
ENDBRANCH  21  24
ENDBRANCH   4  19
TORSDOF 6