REMARK  Name = BDB047601
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.627   0.678  -0.451  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.470   0.048   0.022  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -0.494  -0.427  -0.878  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -0.293  -0.236  -2.253  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.847   0.420  -2.722  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.806   0.884  -1.823  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        2.214   1.848   1.476  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.619   1.173   0.532  0.00  0.00    +0.247 C 
ATOM      9  N   LIG    1        3.961   0.853   0.356  0.00  0.00    -0.293 N 
ATOM     10  C   LIG    1        4.470  -0.216  -0.512  0.00  0.00    +0.136 C 
ATOM     11  C   LIG    1        5.702  -0.887   0.107  0.00  0.00    +0.179 C 
ATOM     12  O   LIG    1        6.778   0.025   0.362  0.00  0.00    -0.377 OA
ATOM     13  C   LIG    1        6.352   1.355   0.699  0.00  0.00    +0.179 C 
ATOM     14  C   LIG    1        4.939   1.423   1.282  0.00  0.00    +0.136 C 
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  C   LIG    1       -1.746  -1.106  -0.371  0.00  0.00    +0.093 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.978  -0.213  -0.254  0.00  0.00    +0.074 A 
ATOM     17  C   LIG    1       -4.211  -0.792   0.345  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1       -5.324   0.040   0.452  0.00  0.00    +0.050 A 
ATOM     19  C   LIG    1       -6.519  -0.434   1.007  0.00  0.00    +0.014 A 
ATOM     20  C   LIG    1       -6.599  -1.752   1.456  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -5.491  -2.591   1.349  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -5.234   1.426  -0.033  0.00  0.00    +0.272 A 
ATOM     23  O   LIG    1       -6.187   2.192   0.043  0.00  0.00    -0.266 OA
ATOM     24  N   LIG    1       -4.029   1.796  -0.574  0.00  0.00    -0.242 N 
ATOM     25  H   LIG    1       -3.939   2.751  -0.907  0.00  0.00    +0.192 HD
ATOM     26  C   LIG    1       -4.298  -2.116   0.794  0.00  0.00    +0.010 A 
ATOM     27  N   LIG    1       -2.925   1.012  -0.687  0.00  0.00    -0.175 NA
ENDBRANCH  15  16
ENDBRANCH   3  15
TORSDOF 3