REMARK  Name = BDB048299
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.001   3.498  -1.762  0.00  0.00    +0.216 C 
ATOM      2  N   LIG    1       -0.950   2.639  -2.077  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -1.258   1.268  -2.457  0.00  0.00    +0.146 C 
ATOM      4  C   LIG    1       -0.853   0.276  -1.394  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -1.871  -0.570  -0.895  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1       -1.639  -1.531   0.099  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -0.338  -1.640   0.598  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1        0.703  -0.823   0.120  0.00  0.00    +0.079 A 
ATOM      9  C   LIG    1        0.450   0.147  -0.879  0.00  0.00    +0.137 A 
ATOM     10  O   LIG    1        1.524   0.923  -1.223  0.00  0.00    -0.489 OA
ATOM     11  C   LIG    1        1.447   1.892  -2.263  0.00  0.00    +0.248 C 
ATOM     12  C   LIG    1        0.459   3.014  -1.951  0.00  0.00    +0.149 C 
ATOM     13  O   LIG    1       -3.179   3.150  -1.838  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  14
ATOM     14  C   LIG    1       -2.725  -2.389   0.602  0.00  0.00    -0.011 A 
ATOM     15  C   LIG    1       -3.943  -1.842   1.033  0.00  0.00    +0.054 A 
ATOM     16  C   LIG    1       -4.979  -2.651   1.512  0.00  0.00    +0.124 A 
ATOM     17  C   LIG    1       -4.807  -4.036   1.565  0.00  0.00    +0.091 A 
ATOM     18  C   LIG    1       -3.604  -4.606   1.143  0.00  0.00    +0.124 A 
ATOM     19  C   LIG    1       -2.578  -3.783   0.667  0.00  0.00    +0.054 A 
BRANCH  16  20
ATOM     20  O   LIG    1       -6.100  -1.965   1.894  0.00  0.00    -0.495 OA
ATOM     21  C   LIG    1       -7.185  -2.726   2.408  0.00  0.00    +0.277 C 
ENDBRANCH  16  20
BRANCH  18  22
ATOM     22  O   LIG    1       -3.305  -5.942   1.139  0.00  0.00    -0.495 OA
ATOM     23  C   LIG    1       -4.290  -6.829   1.653  0.00  0.00    +0.277 C 
ENDBRANCH  18  22
ENDBRANCH   6  14
BRANCH   8  24
ATOM     24  C   LIG    1        2.044  -1.048   0.755  0.00  0.00    +0.248 C 
ATOM     25  N   LIG    1        3.155  -0.699   0.017  0.00  0.00    -0.307 N 
ATOM     26  H   LIG    1        2.982  -0.072  -0.762  0.00  0.00    +0.149 HD
ATOM     27  O   LIG    1        2.123  -1.536   1.879  0.00  0.00    -0.270 OA
BRANCH  25  28
ATOM     28  C   LIG    1        4.476  -0.599   0.628  0.00  0.00    +0.087 C 
ATOM     29  C   LIG    1        4.636   0.752   1.373  0.00  0.00    +0.106 C 
ATOM     30  N   LIG    1        5.002   1.816   0.423  0.00  0.00    -0.304 NA
ATOM     31  C   LIG    1        4.904   3.137   1.038  0.00  0.00    +0.104 C 
ATOM     32  C   LIG    1        6.341   1.593  -0.145  0.00  0.00    +0.084 C 
ATOM     33  C   LIG    1        6.754   0.115  -0.212  0.00  0.00    +0.017 C 
ATOM     34  C   LIG    1        5.555  -0.793  -0.453  0.00  0.00    +0.025 C 
ENDBRANCH  25  28
ENDBRANCH   8  24
BRANCH   1  36
ATOM     35  C   LIG    1       -2.833   5.777  -1.050  0.00  0.00    +0.013 C 
ATOM     36  C   LIG    1       -1.618   4.905  -1.323  0.00  0.00    +0.092 C 
ENDBRANCH   1  36
TORSDOF 6