REMARK  Name = BDB048727
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.014  -0.101  -1.039  0.00  0.00    -0.026 A 
ATOM      2  C   LIG    1        2.271   1.018  -1.440  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        0.913   0.894  -1.741  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        0.270  -0.341  -1.643  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        1.002  -1.461  -1.255  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        2.363  -1.341  -0.952  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        6.846   0.234   2.303  0.00  0.00    +0.059 C 
ATOM      8  C   LIG    1        6.246  -0.176   0.979  0.00  0.00    +0.026 C 
ATOM      9  C   LIG    1        4.748  -0.107   0.808  0.00  0.00    +0.164 C 
ATOM     10  C   LIG    1        4.483   0.050  -0.684  0.00  0.00    +0.124 C 
ATOM     11  N   LIG    1        5.271  -0.905  -1.419  0.00  0.00    -0.290 N 
ATOM     12  H   LIG    1        5.048  -1.107  -2.385  0.00  0.00    +0.151 HD
ATOM     13  C   LIG    1        6.591  -1.086  -1.129  0.00  0.00    +0.324 C 
ATOM     14  O   LIG    1        7.303  -1.655  -1.948  0.00  0.00    -0.251 OA
ATOM     15  N   LIG    1        7.054  -0.625   0.070  0.00  0.00    -0.172 NA
BRANCH   9  16
ATOM     16  C   LIG    1        4.117   1.047   1.532  0.00  0.00    +0.315 C 
ATOM     17  O   LIG    1        4.368   2.229   1.367  0.00  0.00    -0.250 OA
BRANCH  16  18
ATOM     18  O   LIG    1        3.199   0.659   2.437  0.00  0.00    -0.480 OA
ATOM     19  H   LIG    1        2.829   1.490   2.805  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH   9  16
ENDBRANCH   1  10
BRANCH   4  20
ATOM     20  O   LIG    1       -1.057  -0.320  -1.965  0.00  0.00    -0.490 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -1.822  -1.487  -1.653  0.00  0.00    +0.250 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.300  -1.189  -1.896  0.00  0.00    +0.163 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.896  -0.424  -0.806  0.00  0.00    -0.337 N 
ATOM     24  C   LIG    1       -3.985   0.955  -0.765  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1       -4.645   1.284   0.420  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -4.875   2.646   0.715  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1       -4.440   3.632  -0.176  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -3.779   3.281  -1.347  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -4.946   0.065   1.103  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1       -5.586  -0.232   2.325  0.00  0.00    +0.010 A 
ATOM     31  C   LIG    1       -5.727  -1.562   2.730  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -5.241  -2.595   1.936  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1       -4.604  -2.329   0.721  0.00  0.00    +0.026 A 
ATOM     34  C   LIG    1       -3.540   1.940  -1.663  0.00  0.00    +0.026 A 
ATOM     35  C   LIG    1       -4.467  -0.988   0.321  0.00  0.00    +0.050 A 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 7