REMARK  Name = BDB044576
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.251   2.030   1.587  0.00  0.00    +0.034 C 
ATOM      2  C   LIG    1       -0.382   0.921   0.547  0.00  0.00    +0.148 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -1.646   1.188  -0.301  0.00  0.00    +0.234 C 
ATOM      4  N   LIG    1       -2.798   0.493  -0.003  0.00  0.00    -0.287 N 
ATOM      5  C   LIG    1       -2.995  -0.515   1.053  0.00  0.00    +0.184 C 
ATOM      6  C   LIG    1       -4.505  -0.784   1.047  0.00  0.00    +0.035 C 
ATOM      7  C   LIG    1       -5.103   0.430   0.347  0.00  0.00    +0.021 C 
ATOM      8  C   LIG    1       -4.045   0.791  -0.679  0.00  0.00    +0.109 C 
ATOM      9  O   LIG    1       -1.616   2.046  -1.190  0.00  0.00    -0.274 OA
BRANCH   5  10
ATOM     10  C   LIG    1       -2.260  -1.837   0.817  0.00  0.00    +0.325 C 
ATOM     11  O   LIG    1       -2.123  -2.722   1.647  0.00  0.00    -0.249 OA
BRANCH  10  12
ATOM     12  O   LIG    1       -1.742  -1.949  -0.421  0.00  0.00    -0.479 OA
ATOM     13  H   LIG    1       -1.011  -2.608  -0.359  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   5  10
ENDBRANCH   2   3
BRANCH   2  14
ATOM     14  N   LIG    1        0.807   0.917  -0.316  0.00  0.00    -0.201 NA
ATOM     15  H   LIG    1        0.740   1.738  -0.916  0.00  0.00    +0.135 HD
BRANCH  14  16
ATOM     16  P   LIG    1        1.079  -0.401  -1.238  0.00  0.00    +0.460 P 
ATOM     17  O   LIG    1        0.847  -1.754  -0.631  0.00  0.00    -0.228 OA
BRANCH  16  18
ATOM     18  O   LIG    1        0.122  -0.209  -2.508  0.00  0.00    -0.303 OA
ATOM     19  H   LIG    1        0.105  -1.007  -3.065  0.00  0.00    +0.222 HD
ENDBRANCH  16  18
BRANCH  16  20
ATOM     20  O   LIG    1        2.516  -0.233  -1.938  0.00  0.00    -0.413 OA
BRANCH  20  21
ATOM     21  C   LIG    1        3.716  -0.315  -1.291  0.00  0.00    +0.131 A 
ATOM     22  C   LIG    1        3.861  -0.665   0.050  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1        5.136  -0.721   0.619  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        6.263  -0.430  -0.149  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        6.117  -0.082  -1.491  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        4.844  -0.026  -2.060  0.00  0.00    +0.046 A 
ENDBRANCH  20  21
ENDBRANCH  16  20
ENDBRANCH  14  16
ENDBRANCH   2  14
TORSDOF 8