REMARK  Name = BDB021448
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.221  -3.193   1.523  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.133  -2.405   0.576  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -1.292  -1.940  -0.034  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -1.315  -0.965  -1.111  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1       -0.407  -1.408  -2.238  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1        0.891  -0.867  -2.070  0.00  0.00    -0.490 OA
ATOM      7  C   LIG    1        1.632  -1.285  -1.004  0.00  0.00    +0.133 A 
ATOM      8  C   LIG    1        2.985  -0.920  -1.178  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1        3.971  -1.224  -0.233  0.00  0.00    -0.030 A 
ATOM     10  C   LIG    1        3.589  -1.917   0.912  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        2.251  -2.273   1.101  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        1.241  -1.962   0.158  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1       -2.579  -2.308   0.565  0.00  0.00    +0.140 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -2.929  -1.540   1.855  0.00  0.00    +0.146 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -4.084  -2.121   2.480  0.00  0.00    -0.389 OA
ATOM     16  H   LIG    1       -3.831  -3.027   2.736  0.00  0.00    +0.210 HD
ENDBRANCH  14  15
BRANCH  14  17
ATOM     17  C   LIG    1       -3.149  -0.020   1.654  0.00  0.00    +0.117 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -4.018   0.387   0.527  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1       -5.410  -0.071   0.730  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1       -6.393   0.494  -0.280  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1       -6.086   1.642  -1.029  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -7.022   2.154  -1.937  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -8.268   1.545  -2.082  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -8.585   0.418  -1.326  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.729   2.281  -0.897  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1       -7.654  -0.103  -0.427  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.005   1.854   0.386  0.00  0.00    +0.089 C 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH  13  14
ENDBRANCH   3  13
BRANCH   9  28
ATOM     28  C   LIG    1        5.415  -0.835  -0.463  0.00  0.00    +0.119 C 
BRANCH  28  29
ATOM     29  N   LIG    1        5.987  -0.030   0.633  0.00  0.00    -0.296 NA
ATOM     30  C   LIG    1        5.388   1.312   0.722  0.00  0.00    +0.112 C 
ATOM     31  C   LIG    1        5.894   2.381  -0.268  0.00  0.00    +0.175 C 
ATOM     32  O   LIG    1        7.313   2.565  -0.322  0.00  0.00    -0.378 OA
ATOM     33  C   LIG    1        7.957   2.476   0.944  0.00  0.00    +0.161 C 
ATOM     34  C   LIG    1        8.182   1.024   1.373  0.00  0.00    +0.043 C 
ATOM     35  C   LIG    1        7.455  -0.019   0.517  0.00  0.00    +0.087 C 
ENDBRANCH  28  29
ENDBRANCH   9  28
TORSDOF 7