REMARK  Name = BDB021418
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.309  -0.085   0.415  0.00  0.00    +0.140 C 
ENDROOT
BRANCH   1   4
ATOM      2  O   LIG    1        2.261  -1.737   1.507  0.00  0.00    -0.270 OA
ATOM      3  C   LIG    1        2.623  -0.681   0.993  0.00  0.00    +0.247 C 
ATOM      4  N   LIG    1        1.732   0.269   0.493  0.00  0.00    -0.295 N 
ATOM      5  C   LIG    1        2.162   1.549  -0.065  0.00  0.00    +0.108 C 
ATOM      6  C   LIG    1        2.864   1.439  -1.417  0.00  0.00    +0.024 C 
ATOM      7  C   LIG    1        3.831   0.265  -1.536  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1        4.666   0.062  -0.299  0.00  0.00    -0.032 A 
ATOM      9  C   LIG    1        6.045   0.306  -0.326  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1        6.819   0.071   0.809  0.00  0.00    +0.117 A 
ATOM     11  C   LIG    1        6.248  -0.413   1.981  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        4.874  -0.657   2.022  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1        4.082  -0.404   0.895  0.00  0.00    +0.040 A 
BRANCH  10  14
ATOM     14  O   LIG    1        8.156   0.325   0.724  0.00  0.00    -0.507 OA
ATOM     15  H   LIG    1        8.571   0.092   1.571  0.00  0.00    +0.292 HD
ENDBRANCH  10  14
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  C   LIG    1       -0.040  -0.816  -0.890  0.00  0.00    +0.146 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -0.206   0.147  -1.948  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1       -1.146   0.417  -1.882  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1       -1.334  -1.657  -0.801  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -2.544  -0.798  -0.779  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1       -3.046  -0.629   0.604  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1       -4.355   0.128   0.683  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1       -5.217   0.193  -0.425  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1       -6.439   0.869  -0.319  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -6.816   1.457   0.888  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.974   1.378   1.994  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.796  -0.410  -1.740  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1       -4.750   0.714   1.895  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -3.622  -1.389  -1.596  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 6