REMARK  Name = BDB056913
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.821  -0.738   1.229  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1       -3.068  -0.612   0.548  0.00  0.00    +0.065 A 
ATOM      3  C   LIG    1       -4.247  -0.694   1.298  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -5.597  -0.694   0.717  0.00  0.00    +0.196 A 
ATOM      5  C   LIG    1       -5.989   0.306  -0.277  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -5.231   0.608  -1.399  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1       -3.973  -0.063  -1.770  0.00  0.00    +0.257 A 
ATOM      8  O   LIG    1       -3.686  -0.143  -2.966  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1       -5.718   1.575  -2.302  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -6.932   2.228  -2.080  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -7.688   1.912  -0.959  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -7.223   0.949  -0.064  0.00  0.00    +0.012 A 
ATOM     13  O   LIG    1       -6.448  -1.459   1.164  0.00  0.00    -0.287 OA
ATOM     14  C   LIG    1       -4.202  -0.872   2.693  0.00  0.00    +0.014 A 
ATOM     15  C   LIG    1       -2.989  -0.961   3.360  0.00  0.00    +0.002 A 
ATOM     16  N   LIG    1       -3.055  -0.494  -0.855  0.00  0.00    -0.321 N 
ATOM     17  H   LIG    1       -2.167  -0.684  -1.324  0.00  0.00    +0.169 HD
ATOM     18  C   LIG    1       -1.808  -0.896   2.631  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  21
ATOM     19  C   LIG    1        1.605  -0.689   0.294  0.00  0.00    +0.242 A 
ATOM     20  O   LIG    1        0.607  -0.739   1.253  0.00  0.00    -0.416 OA
ATOM     21  C   LIG    1       -0.543  -0.700   0.512  0.00  0.00    +0.251 A 
ATOM     22  N   LIG    1       -0.300  -0.638  -0.778  0.00  0.00    -0.107 NA
ATOM     23  N   LIG    1        1.068  -0.630  -0.917  0.00  0.00    -0.108 NA
BRANCH  19  25
ATOM     24  C   LIG    1        3.941  -0.621  -0.291  0.00  0.00    +0.017 C 
ATOM     25  C   LIG    1        2.982  -0.709   0.643  0.00  0.00    +0.070 C 
BRANCH  24  27
ATOM     26  C   LIG    1        6.254   0.290  -0.621  0.00  0.00    +0.127 A 
ATOM     27  C   LIG    1        5.383  -0.618   0.019  0.00  0.00    +0.017 A 
ATOM     28  C   LIG    1        5.913  -1.561   0.917  0.00  0.00    +0.011 A 
ATOM     29  C   LIG    1        7.279  -1.587   1.198  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        8.131  -0.679   0.579  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        7.623   0.254  -0.329  0.00  0.00    +0.046 A 
BRANCH  26  33
ATOM     32  C   LIG    1        6.527   2.067  -2.197  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1        5.673   1.173  -1.497  0.00  0.00    -0.495 OA
ENDBRANCH  26  33
ENDBRANCH  24  27
ENDBRANCH  19  25
ENDBRANCH   1  21
TORSDOF 4