REMARK  Name = BDB009028
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.345   2.667  -0.852  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.554   1.931  -1.626  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -1.923   2.248  -1.648  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -2.378   3.346  -0.909  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.487   4.097  -0.147  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.133   3.757  -0.116  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        2.405   1.315  -1.326  0.00  0.00    +0.218 C 
ATOM      8  N   LIG    1        1.722   2.376  -0.752  0.00  0.00    -0.285 N 
ATOM      9  H   LIG    1        2.255   2.989  -0.148  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        1.932   0.469  -2.078  0.00  0.00    -0.275 OA
BRANCH   7  11
ATOM     11  C   LIG    1        3.885   1.329  -0.971  0.00  0.00    +0.101 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.501  -0.070  -0.966  0.00  0.00    +0.044 C 
BRANCH  12  15
ATOM     13  C   LIG    1        4.508  -1.432   2.602  0.00  0.00    +0.120 A 
ATOM     14  C   LIG    1        4.873  -0.731   1.450  0.00  0.00    +0.049 A 
ATOM     15  C   LIG    1        4.120  -0.854   0.270  0.00  0.00    -0.043 A 
ATOM     16  C   LIG    1        2.993  -1.686   0.260  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        2.625  -2.384   1.408  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        3.380  -2.255   2.573  0.00  0.00    +0.045 A 
BRANCH  13  20
ATOM     19  C   LIG    1        6.351  -0.628   3.872  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1        5.156  -1.395   3.807  0.00  0.00    -0.495 OA
ENDBRANCH  13  20
ENDBRANCH  12  15
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1       -2.881   1.424  -2.479  0.00  0.00    +0.092 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.002   0.793  -1.656  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1       -3.778  -0.528  -0.987  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1       -2.453  -1.231  -1.083  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1       -2.310  -2.405  -0.109  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -3.584  -3.238  -0.056  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -4.777  -2.384   0.376  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1       -4.818  -1.046  -0.309  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1       -6.095  -0.295  -0.217  0.00  0.00    +0.268 A 
ATOM     30  O   LIG    1       -7.056  -0.727   0.411  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -6.133   0.905  -0.873  0.00  0.00    -0.243 N 
ATOM     32  H   LIG    1       -6.998   1.432  -0.825  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1       -5.120   1.456  -1.592  0.00  0.00    -0.175 NA
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 7