REMARK  Name = BDB051145
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.748   0.185   0.580  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -2.627   0.698   1.537  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -3.976   0.335   1.539  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -4.468  -0.558   0.580  0.00  0.00    -0.042 A 
ATOM      5  C   LIG    1       -3.586  -1.066  -0.383  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.235  -0.698  -0.382  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -0.461   0.626   0.703  0.00  0.00    -0.490 OA
BRANCH   7   8
ATOM      8  C   LIG    1        0.515   0.173  -0.235  0.00  0.00    +0.248 C 
BRANCH   8   9
ATOM      9  C   LIG    1        1.111  -1.171   0.202  0.00  0.00    +0.148 C 
BRANCH   9  11
ATOM     10  C   LIG    1        3.543  -1.252  -0.485  0.00  0.00    +0.215 C 
ATOM     11  N   LIG    1        2.209  -1.619  -0.661  0.00  0.00    -0.301 N 
ATOM     12  C   LIG    1        1.832  -2.237  -1.924  0.00  0.00    +0.132 C 
ATOM     13  O   LIG    1        4.398  -1.483  -1.340  0.00  0.00    -0.276 OA
BRANCH  10  14
ATOM     14  C   LIG    1        3.902  -0.576   0.834  0.00  0.00    +0.096 C 
BRANCH  14  15
ATOM     15  C   LIG    1        5.371  -0.154   0.930  0.00  0.00    +0.009 C 
BRANCH  15  16
ATOM     16  C   LIG    1        5.673   1.096   0.096  0.00  0.00    +0.000 C 
BRANCH  16  18
ATOM     17  C   LIG    1        8.157   0.649  -0.279  0.00  0.00    +0.004 C 
ATOM     18  C   LIG    1        7.106   1.604   0.267  0.00  0.00    -0.003 C 
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  10  14
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  19
ATOM     19  C   LIG    1       -5.931  -0.936   0.567  0.00  0.00    +0.083 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -6.787   0.047  -0.166  0.00  0.00    +0.058 A 
ATOM     21  C   LIG    1       -7.604   0.970   0.363  0.00  0.00    +0.204 A 
ATOM     22  N   LIG    1       -8.286   1.714  -0.547  0.00  0.00    -0.287 N 
ATOM     23  H   LIG    1       -8.937   2.452  -0.333  0.00  0.00    +0.172 HD
ATOM     24  C   LIG    1       -8.049   1.407  -1.865  0.00  0.00    +0.291 A 
ATOM     25  O   LIG    1       -8.551   1.942  -2.838  0.00  0.00    -0.260 OA
ATOM     26  S   LIG    1       -6.884   0.081  -1.917  0.00  0.00    -0.028 S 
BRANCH  21  27
ATOM     27  O   LIG    1       -7.788   1.205   1.687  0.00  0.00    -0.493 OA
ATOM     28  H   LIG    1       -8.411   1.944   1.768  0.00  0.00    +0.294 HD
ENDBRANCH  21  27
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 11