REMARK  Name = BDB055152
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.654  -1.024   0.443  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.597  -0.647   0.015  0.00  0.00    -0.303 N 
ATOM      3  H   LIG    1        0.705  -0.295  -0.933  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.830  -1.706   1.453  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -1.822  -0.487  -0.408  0.00  0.00    +0.159 C 
BRANCH   5   8
ATOM      6  C   LIG    1       -3.710  -3.677  -1.174  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1       -2.744  -2.543  -1.385  0.00  0.00    +0.211 C 
ATOM      8  N   LIG    1       -2.833  -1.544  -0.441  0.00  0.00    -0.304 N 
ATOM      9  H   LIG    1       -3.193  -1.824   0.466  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1       -1.942  -2.527  -2.314  0.00  0.00    -0.276 OA
ENDBRANCH   5   8
BRANCH   5  11
ATOM     11  C   LIG    1       -2.414   0.783   0.219  0.00  0.00    +0.034 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -1.494   2.020   0.207  0.00  0.00    -0.015 C 
ATOM     13  C   LIG    1       -1.131   2.467  -1.209  0.00  0.00    +0.007 C 
ATOM     14  C   LIG    1       -2.175   3.174   0.950  0.00  0.00    +0.007 C 
ENDBRANCH  11  12
ENDBRANCH   5  11
ENDBRANCH   1   5
BRANCH   2  15
ATOM     15  C   LIG    1        1.785  -1.172   0.663  0.00  0.00    +0.225 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.030  -0.489   0.120  0.00  0.00    +0.325 C 
ATOM     17  O   LIG    1        3.058   0.201  -0.891  0.00  0.00    -0.249 OA
BRANCH  16  18
ATOM     18  O   LIG    1        4.109  -0.768   0.908  0.00  0.00    -0.452 OA
BRANCH  18  19
ATOM     19  C   LIG    1        5.353  -0.234   0.429  0.00  0.00    +0.352 C 
BRANCH  19  20
ATOM     20  C   LIG    1        5.601   1.173   0.950  0.00  0.00    +0.343 C 
ATOM     21  O   LIG    1        6.374   1.970   0.440  0.00  0.00    -0.247 OA
BRANCH  20  22
ATOM     22  O   LIG    1        4.925   1.443   2.094  0.00  0.00    -0.478 OA
ATOM     23  H   LIG    1        4.387   0.679   2.383  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH   2  15
TORSDOF 10