REMARK  Name = BDB009011
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.386  -0.748   0.510  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -1.461  -1.017  -0.350  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -2.404  -2.016  -0.052  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -2.234  -2.775   1.111  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.167  -2.516   1.970  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.249  -1.504   1.673  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        1.610   0.742   0.816  0.00  0.00    +0.218 C 
ATOM      8  N   LIG    1        0.498   0.282   0.128  0.00  0.00    -0.285 N 
ATOM      9  H   LIG    1        0.286   0.739  -0.751  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        2.002   0.349   1.908  0.00  0.00    -0.275 OA
BRANCH   7  11
ATOM     11  C   LIG    1        2.302   1.866   0.057  0.00  0.00    +0.101 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.681   2.231   0.612  0.00  0.00    +0.048 C 
BRANCH  12  15
ATOM     13  C   LIG    1        5.812  -0.674  -0.755  0.00  0.00    +0.121 A 
ATOM     14  C   LIG    1        4.710   0.102  -0.383  0.00  0.00    +0.052 A 
ATOM     15  C   LIG    1        4.866   1.376   0.190  0.00  0.00    -0.002 A 
ATOM     16  C   LIG    1        6.174   1.856   0.414  0.00  0.00    +0.123 A 
ATOM     17  C   LIG    1        7.275   1.079   0.036  0.00  0.00    +0.049 A 
ATOM     18  C   LIG    1        7.095  -0.178  -0.548  0.00  0.00    +0.049 A 
BRANCH  13  20
ATOM     19  C   LIG    1        6.581  -2.746  -1.632  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1        5.497  -1.884  -1.311  0.00  0.00    -0.495 OA
ENDBRANCH  13  20
BRANCH  16  21
ATOM     21  O   LIG    1        6.266   3.096   0.995  0.00  0.00    -0.495 OA
ATOM     22  C   LIG    1        7.561   3.555   1.360  0.00  0.00    +0.277 C 
ENDBRANCH  16  21
ENDBRANCH  12  15
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   8
BRANCH   3  23
ATOM     23  C   LIG    1       -3.552  -2.309  -0.991  0.00  0.00    +0.092 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.332  -1.067  -1.413  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1       -5.413  -0.534  -0.524  0.00  0.00    -0.016 A 
ATOM     26  C   LIG    1       -5.720  -1.187   0.795  0.00  0.00    +0.037 C 
ATOM     27  C   LIG    1       -6.629  -0.345   1.695  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -7.768   0.282   0.901  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -7.228   1.172  -0.220  0.00  0.00    +0.041 C 
ATOM     30  C   LIG    1       -6.085   0.542  -0.968  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1       -5.719   1.166  -2.264  0.00  0.00    +0.268 A 
ATOM     32  O   LIG    1       -6.300   2.157  -2.694  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1       -4.695   0.569  -2.948  0.00  0.00    -0.243 N 
ATOM     34  H   LIG    1       -4.438   0.975  -3.841  0.00  0.00    +0.192 HD
ATOM     35  N   LIG    1       -4.004  -0.533  -2.553  0.00  0.00    -0.175 NA
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 8