REMARK  Name = BDB046857
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.206   0.266   0.102  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.945  -0.334  -0.041  0.00  0.00    +0.037 A 
ATOM      3  C   LIG    1       -0.253   0.324   0.318  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -0.131   1.618   0.851  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1        1.117   2.231   0.997  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1        2.279   1.555   0.620  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.544  -0.373   0.130  0.00  0.00    +0.075 A 
ATOM      8  N   LIG    1       -1.523  -1.712   0.377  0.00  0.00    -0.255 NA
ATOM      9  C   LIG    1       -2.668  -2.411   0.223  0.00  0.00    +0.112 A 
ATOM     10  C   LIG    1       -3.857  -1.850  -0.192  0.00  0.00    +0.034 A 
ATOM     11  C   LIG    1       -3.867  -0.486  -0.467  0.00  0.00    +0.062 A 
ATOM     12  C   LIG    1       -2.700   0.264  -0.308  0.00  0.00    +0.043 A 
BRANCH  11  13
ATOM     13  C   LIG    1       -5.136   0.122  -0.926  0.00  0.00    +0.337 C 
ATOM     14  O   LIG    1       -6.192  -0.466  -1.067  0.00  0.00    -0.245 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -5.024   1.434  -1.193  0.00  0.00    -0.477 OA
ATOM     16  H   LIG    1       -5.923   1.698  -1.479  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH   3   7
BRANCH   1  19
ATOM     17  C   LIG    1        5.575  -1.202  -0.754  0.00  0.00    +0.109 C 
ATOM     18  C   LIG    1        4.656  -0.112  -0.261  0.00  0.00    +0.214 C 
ATOM     19  N   LIG    1        3.327  -0.493  -0.291  0.00  0.00    -0.286 N 
ATOM     20  H   LIG    1        3.128  -1.425  -0.635  0.00  0.00    +0.155 HD
ATOM     21  O   LIG    1        5.104   0.976   0.086  0.00  0.00    -0.276 OA
ENDBRANCH   1  19
BRANCH   4  22
ATOM     22  O   LIG    1       -1.246   2.300   1.263  0.00  0.00    -0.506 OA
ATOM     23  H   LIG    1       -0.971   3.125   1.696  0.00  0.00    +0.292 HD
ENDBRANCH   4  22
TORSDOF 5