REMARK  Name = BDB021438
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.642   1.459  -0.646  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1        3.658   0.886  -1.461  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1        2.321   0.736  -1.038  0.00  0.00    +0.133 A 
ATOM      4  O   LIG    1        1.573   0.150  -2.020  0.00  0.00    -0.490 OA
ATOM      5  C   LIG    1        0.180  -0.023  -1.821  0.00  0.00    +0.248 C 
ATOM      6  C   LIG    1       -0.107  -0.800  -0.550  0.00  0.00    +0.149 C 
ATOM      7  N   LIG    1       -0.320   0.122   0.548  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1        0.604   1.105   0.894  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1        0.364   1.926   1.782  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        1.954   1.165   0.244  0.00  0.00    +0.078 A 
ATOM     11  C   LIG    1        2.954   1.746   1.058  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        4.274   1.890   0.626  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1        6.066   1.613  -1.134  0.00  0.00    +0.119 C 
BRANCH  13  16
ATOM     14  C   LIG    1        8.507  -0.608  -0.755  0.00  0.00    +0.146 C 
ATOM     15  C   LIG    1        6.963  -0.599  -0.656  0.00  0.00    +0.117 C 
ATOM     16  N   LIG    1        7.014   0.841  -0.324  0.00  0.00    -0.293 NA
ATOM     17  C   LIG    1        8.376   0.926  -0.894  0.00  0.00    +0.117 C 
BRANCH  14  19
ATOM     18  C   LIG    1        9.270  -2.491   0.582  0.00  0.00    +0.194 C 
ATOM     19  O   LIG    1        9.261  -1.085   0.388  0.00  0.00    -0.377 OA
ENDBRANCH  14  19
ENDBRANCH  13  16
ENDBRANCH   1  13
BRANCH   7  20
ATOM     20  C   LIG    1       -1.646   0.133   1.189  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.774   0.663   0.275  0.00  0.00    +0.146 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -2.443   1.971  -0.214  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -3.199   2.301  -0.728  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -4.122   0.728   1.032  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -4.615  -0.574   1.517  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -5.152  -1.430   0.442  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -6.518  -1.029  -0.073  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -7.394  -0.268   0.723  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -8.667   0.060   0.238  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -9.078  -0.382  -1.019  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -8.220  -1.152  -1.801  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.945   0.249   2.067  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -6.948  -1.478  -1.330  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -5.649  -0.416   2.557  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 8