REMARK  Name = BDB028479
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.340  -0.203  -3.140  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1        0.765  -0.601  -2.061  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1        1.916  -0.132  -1.486  0.00  0.00    -0.284 N 
ATOM      4  C   LIG    1        2.847  -0.803  -0.593  0.00  0.00    +0.123 C 
ATOM      5  C   LIG    1        3.840   0.328  -0.930  0.00  0.00    +0.110 C 
ATOM      6  C   LIG    1        2.982   0.579  -2.188  0.00  0.00    +0.123 C 
ATOM      7  N   LIG    1        0.124  -1.555  -1.310  0.00  0.00    -0.297 N 
ATOM      8  H   LIG    1        0.332  -1.547  -0.323  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        5.317  -0.066  -1.139  0.00  0.00    +0.222 C 
ATOM     10  N   LIG    1        6.121  -0.204  -0.001  0.00  0.00    -0.297 N 
ATOM     11  C   LIG    1        7.460  -0.777  -0.177  0.00  0.00    +0.136 C 
ATOM     12  C   LIG    1        8.412  -0.365   0.948  0.00  0.00    +0.179 C 
ATOM     13  O   LIG    1        7.846  -0.654   2.235  0.00  0.00    -0.377 OA
ATOM     14  C   LIG    1        6.627   0.077   2.414  0.00  0.00    +0.179 C 
ATOM     15  C   LIG    1        5.587  -0.317   1.360  0.00  0.00    +0.136 C 
ATOM     16  O   LIG    1        5.794  -0.245  -2.267  0.00  0.00    -0.275 OA
ENDBRANCH   5   9
BRANCH   7  17
ATOM     17  C   LIG    1       -1.159  -2.080  -1.738  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.333  -1.106  -1.506  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -3.393  -1.462  -2.406  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1       -3.096  -1.184  -3.293  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1       -2.838  -1.197  -0.044  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -3.643  -0.044   0.422  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -4.860   0.139  -0.398  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1       -5.846   1.144   0.170  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -5.784   1.547   1.514  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1       -6.722   2.461   2.013  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -7.734   2.952   1.189  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -7.812   2.540  -0.139  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.673   1.041   2.394  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1       -6.875   1.639  -0.646  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -4.021  -0.228   1.833  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 6