REMARK  Name = BDB047164
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.048  -1.915  -0.408  0.00  0.00    -0.040 A 
ATOM      2  C   LIG    1       -0.973  -0.939  -0.002  0.00  0.00    +0.030 A 
ATOM      3  C   LIG    1       -2.026  -0.552  -0.841  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -2.161  -1.160  -2.096  0.00  0.00    +0.026 A 
ATOM      5  C   LIG    1       -1.265  -2.152  -2.495  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.220  -2.533  -1.654  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.943   0.469  -0.432  0.00  0.00    -0.252 N 
ATOM      8  C   LIG    1       -2.648   1.582   0.361  0.00  0.00    +0.200 A 
ATOM      9  C   LIG    1       -3.768   2.386   0.417  0.00  0.00    +0.071 A 
ATOM     10  C   LIG    1       -4.788   1.754  -0.319  0.00  0.00    +0.071 A 
ATOM     11  C   LIG    1       -4.296   0.554  -0.780  0.00  0.00    +0.200 A 
BRANCH   8  12
ATOM     12  O   LIG    1       -1.439   1.796   0.878  0.00  0.00    -0.493 OA
ATOM     13  H   LIG    1       -1.471   2.642   1.361  0.00  0.00    +0.294 HD
ENDBRANCH   8  12
BRANCH  11  14
ATOM     14  O   LIG    1       -4.980  -0.408  -1.402  0.00  0.00    -0.493 OA
ATOM     15  H   LIG    1       -4.522  -1.256  -1.256  0.00  0.00    +0.294 HD
ENDBRANCH  11  14
ENDBRANCH   3   7
BRANCH   1  16
ATOM     16  C   LIG    1        1.089  -2.345   0.493  0.00  0.00    +0.093 C 
BRANCH  16  24
ATOM     17  O   LIG    1        3.174   1.761   3.567  0.00  0.00    -0.266 OA
ATOM     18  C   LIG    1        2.761   0.864   2.840  0.00  0.00    +0.272 A 
ATOM     19  C   LIG    1        3.056   0.847   1.398  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1        2.548  -0.186   0.612  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1        2.836  -0.209  -0.757  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        3.622   0.798  -1.326  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        4.125   1.829  -0.534  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        1.717  -1.211   1.296  0.00  0.00    +0.074 A 
ATOM     25  N   LIG    1        1.481  -1.192   2.575  0.00  0.00    -0.175 NA
ATOM     26  C   LIG    1        3.844   1.856   0.831  0.00  0.00    +0.014 A 
ATOM     27  N   LIG    1        2.006  -0.179   3.315  0.00  0.00    -0.242 N 
ATOM     28  H   LIG    1        1.789  -0.183   4.307  0.00  0.00    +0.192 HD
ENDBRANCH  16  24
ENDBRANCH   1  16
TORSDOF 5