REMARK  Name = BDB048804
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.441   2.777  -1.598  0.00  0.00    +0.149 C 
ATOM      2  N   LIG    1        1.753   1.748  -0.844  0.00  0.00    -0.343 N 
ATOM      3  C   LIG    1        2.379   0.703  -0.193  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        1.381  -0.041   0.435  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1        1.754  -1.178   1.184  0.00  0.00    +0.056 A 
ATOM      6  C   LIG    1        3.100  -1.547   1.290  0.00  0.00    +0.122 A 
ATOM      7  C   LIG    1        4.076  -0.789   0.650  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1        0.125   0.573   0.133  0.00  0.00    -0.014 A 
ATOM      9  C   LIG    1        3.734   0.344  -0.100  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        0.384   1.669  -0.681  0.00  0.00    +0.053 A 
ENDROOT
BRANCH  10  11
ATOM     11  C   LIG    1       -0.562   2.600  -1.294  0.00  0.00    -0.001 A 
ATOM     12  C   LIG    1       -0.889   2.484  -2.649  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -1.798   3.369  -3.232  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -2.386   4.372  -2.462  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -2.067   4.490  -1.109  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -1.159   3.606  -0.525  0.00  0.00    +0.010 A 
ENDBRANCH  10  11
BRANCH   6  17
ATOM     17  O   LIG    1        3.316  -2.669   2.044  0.00  0.00    -0.481 OA
BRANCH  17  18
ATOM     18  C   LIG    1        4.658  -3.096   2.208  0.00  0.00    +0.349 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.737  -4.350   3.074  0.00  0.00    +0.343 C 
ATOM     20  O   LIG    1        3.791  -4.941   3.570  0.00  0.00    -0.247 OA
BRANCH  19  21
ATOM     21  O   LIG    1        6.015  -4.779   3.254  0.00  0.00    -0.478 OA
ATOM     22  H   LIG    1        6.693  -4.234   2.814  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   6  17
BRANCH   8  23
ATOM     23  C   LIG    1       -1.223   0.094   0.587  0.00  0.00    +0.042 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -1.862  -0.863  -0.424  0.00  0.00    +0.040 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.237  -1.299   0.015  0.00  0.00    -0.047 A 
ATOM     26  C   LIG    1       -3.407  -2.470   0.765  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -4.680  -2.860   1.186  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.791  -2.082   0.866  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.631  -0.911   0.126  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.360  -0.520  -0.297  0.00  0.00    +0.003 A 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 8