REMARK  Name = BDB045137
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.278   0.145  -0.587  0.00  0.00    -0.004 A 
ATOM      2  C   LIG    1        0.969   1.199   0.275  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -0.309   1.762   0.250  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -1.282   1.267  -0.620  0.00  0.00    +0.122 A 
ATOM      5  C   LIG    1       -0.964   0.227  -1.497  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        0.315  -0.339  -1.476  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  N   LIG    1        3.559  -0.065   0.209  0.00  0.00    -0.093 NA
ATOM      8  C   LIG    1        2.619  -0.469  -0.584  0.00  0.00    +0.160 C 
BRANCH   7   9
ATOM      9  O   LIG    1        4.705  -0.839  -0.025  0.00  0.00    -0.393 OA
BRANCH   9  10
ATOM     10  C   LIG    1        5.742  -0.388   0.848  0.00  0.00    +0.265 C 
BRANCH  10  12
ATOM     11  C   LIG    1        8.097  -0.836   1.605  0.00  0.00    +0.011 C 
ATOM     12  C   LIG    1        7.012  -1.209   0.597  0.00  0.00    +0.023 C 
ATOM     13  C   LIG    1        7.525  -1.018  -0.832  0.00  0.00    +0.011 C 
ENDBRANCH  10  12
ENDBRANCH   9  10
ENDBRANCH   7   9
ENDBRANCH   1   8
BRANCH   4  14
ATOM     14  O   LIG    1       -2.487   1.916  -0.578  0.00  0.00    -0.477 OA
BRANCH  14  15
ATOM     15  C   LIG    1       -3.658   1.127  -0.871  0.00  0.00    +0.285 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -4.114   1.413  -2.302  0.00  0.00    +0.346 C 
ATOM     17  O   LIG    1       -5.012   0.815  -2.875  0.00  0.00    -0.247 OA
BRANCH  16  18
ATOM     18  O   LIG    1       -3.429   2.424  -2.894  0.00  0.00    -0.478 OA
ATOM     19  H   LIG    1       -2.745   2.780  -2.284  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  15  16
BRANCH  15  20
ATOM     20  C   LIG    1       -4.764   1.560   0.104  0.00  0.00    +0.091 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -5.492   0.376   0.696  0.00  0.00    -0.043 A 
ATOM     22  C   LIG    1       -6.564  -0.214   0.013  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -7.218  -1.324   0.550  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -6.806  -1.856   1.770  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.737  -1.280   2.454  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.080  -0.171   1.920  0.00  0.00    +0.004 A 
ENDBRANCH  20  21
ENDBRANCH  15  20
ENDBRANCH  14  15
ENDBRANCH   4  14
TORSDOF 10