REMARK  Name = BDB046853
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.930  -0.707   0.351  0.00  0.00    +0.044 A 
ATOM      2  C   LIG    1       -2.107  -1.703   1.325  0.00  0.00    +0.126 A 
ATOM      3  C   LIG    1       -1.020  -2.259   2.003  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1        0.279  -1.836   1.714  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        0.501  -0.860   0.747  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -0.602  -0.311   0.076  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -5.245   0.861  -0.597  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1       -4.261   0.256   0.188  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1       -3.041  -0.075  -0.393  0.00  0.00    +0.075 A 
ATOM     10  N   LIG    1       -2.782   0.208  -1.699  0.00  0.00    -0.255 NA
ATOM     11  C   LIG    1       -3.753   0.789  -2.437  0.00  0.00    +0.112 A 
ATOM     12  C   LIG    1       -4.992   1.131  -1.938  0.00  0.00    +0.034 A 
BRANCH   7  14
ATOM     13  O   LIG    1       -6.830   1.024   1.207  0.00  0.00    -0.245 OA
ATOM     14  C   LIG    1       -6.537   1.202   0.040  0.00  0.00    +0.337 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -7.409   1.757  -0.821  0.00  0.00    -0.477 OA
ATOM     16  H   LIG    1       -8.204   1.924  -0.271  0.00  0.00    +0.295 HD
ENDBRANCH  14  15
ENDBRANCH   7  14
ENDBRANCH   1   9
BRANCH   5  17
ATOM     17  N   LIG    1        1.778  -0.388   0.380  0.00  0.00    -0.281 N 
ATOM     18  H   LIG    1        1.788   0.319  -0.344  0.00  0.00    +0.155 HD
ATOM     19  C   LIG    1        2.993  -0.722   0.951  0.00  0.00    +0.248 C 
ATOM     20  O   LIG    1        3.173  -1.431   1.934  0.00  0.00    -0.270 OA
BRANCH  19  21
ATOM     21  C   LIG    1        4.183  -0.099   0.303  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1        4.248   0.103  -1.083  0.00  0.00    +0.016 A 
ATOM     23  C   LIG    1        5.384   0.689  -1.646  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        6.449   1.059  -0.830  0.00  0.00    +0.117 A 
ATOM     25  C   LIG    1        6.405   0.847   0.544  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        5.270   0.262   1.111  0.00  0.00    +0.016 A 
BRANCH  24  27
ATOM     27  O   LIG    1        7.535   1.626  -1.427  0.00  0.00    -0.507 OA
ATOM     28  H   LIG    1        8.206   1.807  -0.748  0.00  0.00    +0.292 HD
ENDBRANCH  24  27
ENDBRANCH  19  21
ENDBRANCH   5  17
BRANCH   2  29
ATOM     29  O   LIG    1       -3.364  -2.168   1.612  0.00  0.00    -0.506 OA
ATOM     30  H   LIG    1       -3.296  -2.895   2.252  0.00  0.00    +0.292 HD
ENDBRANCH   2  29
TORSDOF 7