REMARK  Name = BDB056518
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.545   0.139  -0.859  0.00  0.00    +0.220 C 
ATOM      2  N   LIG    1        1.172  -0.022  -1.026  0.00  0.00    -0.298 N 
ATOM      3  C   LIG    1        0.706  -0.832  -2.164  0.00  0.00    +0.126 C 
ATOM      4  C   LIG    1       -0.624  -0.333  -2.744  0.00  0.00    +0.126 C 
ATOM      5  N   LIG    1       -1.681  -0.235  -1.730  0.00  0.00    -0.298 N 
ATOM      6  C   LIG    1       -2.996  -0.450  -2.119  0.00  0.00    +0.216 C 
ATOM      7  O   LIG    1       -3.301  -0.682  -3.289  0.00  0.00    -0.276 OA
ATOM      8  C   LIG    1       -1.244   0.005  -0.349  0.00  0.00    +0.126 C 
ATOM      9  C   LIG    1        0.133   0.683  -0.266  0.00  0.00    +0.126 C 
ATOM     10  O   LIG    1        3.347  -0.417  -1.612  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        6.742   1.008  -0.335  0.00  0.00    +0.403 C 
ATOM     12  N   LIG    1        5.543   0.700   0.299  0.00  0.00    -0.267 N 
ATOM     13  C   LIG    1        4.413   1.590   0.059  0.00  0.00    +0.123 C 
ATOM     14  C   LIG    1        3.028   0.983   0.327  0.00  0.00    +0.093 C 
ATOM     15  C   LIG    1        3.012   0.165   1.624  0.00  0.00    +0.016 C 
ATOM     16  C   LIG    1        4.172  -0.824   1.684  0.00  0.00    +0.020 C 
ATOM     17  C   LIG    1        5.512  -0.123   1.504  0.00  0.00    +0.111 C 
ATOM     18  O   LIG    1        6.866   1.893  -1.177  0.00  0.00    -0.226 OA
BRANCH  11  19
ATOM     19  O   LIG    1        7.775   0.231   0.091  0.00  0.00    -0.446 OA
BRANCH  19  20
ATOM     20  C   LIG    1        9.017   0.513  -0.558  0.00  0.00    +0.261 C 
BRANCH  20  22
ATOM     21  C   LIG    1       11.165  -0.101   0.605  0.00  0.00    +0.007 C 
ATOM     22  C   LIG    1       10.032  -0.451  -0.019  0.00  0.00    +0.006 C 
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  11  19
ENDBRANCH   1  14
BRANCH   6  23
ATOM     23  C   LIG    1       -4.049  -0.409  -1.026  0.00  0.00    +0.103 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.446  -0.668  -1.581  0.00  0.00    +0.083 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -6.448  -0.641  -0.457  0.00  0.00    +0.111 A 
ATOM     26  N   LIG    1       -6.718  -1.845   0.137  0.00  0.00    -0.310 N 
ATOM     27  H   LIG    1       -6.303  -2.700  -0.205  0.00  0.00    +0.170 HD
ATOM     28  C   LIG    1       -7.592  -1.988   1.185  0.00  0.00    +0.259 A 
ATOM     29  O   LIG    1       -7.821  -3.078   1.696  0.00  0.00    -0.267 OA
ATOM     30  C   LIG    1       -8.233  -0.747   1.652  0.00  0.00    +0.065 A 
ATOM     31  C   LIG    1       -7.889   0.439   0.995  0.00  0.00    +0.078 A 
ATOM     32  C   LIG    1       -8.491   1.630   1.407  0.00  0.00    +0.028 A 
ATOM     33  C   LIG    1       -9.416   1.634   2.456  0.00  0.00    +0.002 A 
ATOM     34  C   LIG    1       -9.748   0.442   3.103  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1       -9.155  -0.757   2.704  0.00  0.00    +0.015 A 
ATOM     36  N   LIG    1       -6.970   0.477  -0.068  0.00  0.00    -0.234 NA
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 7