REMARK  Name = BDB014985
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.631   0.001  -2.569  0.00  0.00    -0.489 OA
ENDROOT
BRANCH   1   8
ATOM      2  C   LIG    1       -3.466  -2.601  -1.560  0.00  0.00    +0.044 C 
ATOM      3  C   LIG    1       -2.751  -1.282  -1.667  0.00  0.00    -0.043 A 
ATOM      4  C   LIG    1       -3.393  -0.059  -1.391  0.00  0.00    -0.030 A 
ATOM      5  C   LIG    1       -2.665   1.136  -1.540  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -1.322   1.137  -1.940  0.00  0.00    -0.008 A 
ATOM      7  C   LIG    1       -0.583   2.439  -2.078  0.00  0.00    +0.047 C 
ATOM      8  C   LIG    1       -0.681  -0.084  -2.188  0.00  0.00    +0.124 A 
ATOM      9  C   LIG    1       -1.400  -1.277  -2.067  0.00  0.00    +0.049 A 
BRANCH   4  10
ATOM     10  C   LIG    1       -4.849   0.034  -0.964  0.00  0.00    +0.120 C 
BRANCH  10  11
ATOM     11  N   LIG    1       -5.034   0.711   0.331  0.00  0.00    -0.294 NA
ATOM     12  C   LIG    1       -4.412  -0.050   1.439  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1       -5.057   0.282   2.792  0.00  0.00    +0.175 C 
ATOM     14  O   LIG    1       -6.439  -0.100   2.852  0.00  0.00    -0.377 OA
ATOM     15  C   LIG    1       -7.091  -0.049   1.576  0.00  0.00    +0.175 C 
ATOM     16  C   LIG    1       -6.462   0.971   0.614  0.00  0.00    +0.113 C 
ENDBRANCH  10  11
ENDBRANCH   4  10
ENDBRANCH   1   8
BRANCH   1  17
ATOM     17  C   LIG    1        1.483  -1.126  -2.362  0.00  0.00    +0.261 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.822  -1.369  -0.881  0.00  0.00    +0.166 C 
BRANCH  18  19
ATOM     19  O   LIG    1        2.611  -2.556  -0.731  0.00  0.00    -0.387 OA
ATOM     20  H   LIG    1        2.093  -3.298  -1.084  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        2.505  -0.153  -0.202  0.00  0.00    +0.119 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.677   0.400  -0.914  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        4.904  -0.394  -0.708  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        5.579  -0.198   0.635  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        5.357   0.966   1.395  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        6.025   1.139   2.614  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        6.925   0.175   3.068  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        7.160  -0.970   2.311  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        4.352   1.990   0.932  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        6.494  -1.155   1.099  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        3.945   1.798  -0.536  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 8