REMARK  Name = BDB048458
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.919  -3.123   0.178  0.00  0.00    +0.100 A 
ATOM      2  C   LIG    1       -0.441  -2.728   0.376  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -1.038  -3.806   1.016  0.00  0.00    +0.066 A 
ATOM      4  C   LIG    1       -2.380  -3.815   1.400  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1       -3.141  -2.675   1.101  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -2.589  -1.577   0.438  0.00  0.00    +0.034 A 
ATOM      7  N   LIG    1       -0.051  -4.743   1.139  0.00  0.00    -0.276 N 
ATOM      8  H   LIG    1       -0.125  -5.665   1.554  0.00  0.00    +0.189 HD
ATOM      9  C   LIG    1       -1.231  -1.598   0.076  0.00  0.00    +0.035 A 
ATOM     10  N   LIG    1        1.133  -4.368   0.633  0.00  0.00    -0.173 NA
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        3.301  -0.294  -0.589  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1        2.269  -1.043  -0.005  0.00  0.00    +0.033 A 
ATOM     13  C   LIG    1        1.998  -2.352  -0.431  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        2.781  -2.919  -1.442  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        3.803  -2.178  -2.032  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        4.058  -0.870  -1.610  0.00  0.00    +0.023 A 
BRANCH  11  18
ATOM     17  C   LIG    1        4.473   1.910  -0.499  0.00  0.00    +0.241 C 
ATOM     18  N   LIG    1        3.514   1.009  -0.090  0.00  0.00    -0.282 N 
ATOM     19  H   LIG    1        2.932   1.283   0.690  0.00  0.00    +0.155 HD
ATOM     20  O   LIG    1        5.303   1.787  -1.388  0.00  0.00    -0.270 OA
BRANCH  17  22
ATOM     21  C   LIG    1        5.452   3.774   0.815  0.00  0.00    +0.096 C 
ATOM     22  C   LIG    1        4.383   3.179   0.267  0.00  0.00    +0.074 C 
BRANCH  21  24
ATOM     23  O   LIG    1        7.829   3.866   0.731  0.00  0.00    -0.246 OA
ATOM     24  C   LIG    1        6.808   3.214   0.843  0.00  0.00    +0.330 C 
BRANCH  24  25
ATOM     25  O   LIG    1        6.815   1.907   1.139  0.00  0.00    -0.478 OA
ATOM     26  H   LIG    1        7.760   1.653   1.086  0.00  0.00    +0.295 HD
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  17  22
ENDBRANCH  11  18
ENDBRANCH   1  13
BRANCH   6  27
ATOM     27  N   LIG    1       -3.319  -0.416   0.101  0.00  0.00    -0.281 N 
ATOM     28  H   LIG    1       -2.804   0.293  -0.405  0.00  0.00    +0.155 HD
ATOM     29  C   LIG    1       -4.671  -0.188   0.287  0.00  0.00    +0.248 C 
ATOM     30  O   LIG    1       -5.497  -0.975   0.734  0.00  0.00    -0.270 OA
BRANCH  29  31
ATOM     31  C   LIG    1       -5.144   1.155  -0.153  0.00  0.00    +0.037 A 
ATOM     32  C   LIG    1       -4.365   2.306   0.028  0.00  0.00    +0.013 A 
ATOM     33  C   LIG    1       -4.845   3.546  -0.399  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1       -6.102   3.641  -0.998  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -6.887   2.500  -1.163  0.00  0.00    +0.001 A 
ATOM     36  C   LIG    1       -6.412   1.259  -0.737  0.00  0.00    +0.013 A 
ENDBRANCH  29  31
ENDBRANCH   6  27
TORSDOF 7