REMARK  Name = BDB017447
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.435   0.410  -1.251  0.00  0.00    +0.102 A 
ATOM      2  C   LIG    1       -0.626   0.865  -0.403  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -1.744   0.926  -1.224  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1       -3.005   1.336  -0.775  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1       -3.164   1.677   0.581  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1       -2.036   1.623   1.417  0.00  0.00    +0.005 A 
ATOM      7  N   LIG    1       -1.312   0.513  -2.451  0.00  0.00    -0.276 N 
ATOM      8  H   LIG    1       -1.858   0.429  -3.300  0.00  0.00    +0.189 HD
ATOM      9  C   LIG    1       -0.775   1.218   0.951  0.00  0.00    +0.012 A 
ATOM     10  N   LIG    1       -0.015   0.174  -2.495  0.00  0.00    -0.173 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -4.511   2.120   1.105  0.00  0.00    +0.040 C 
ATOM     12  C   LIG    1       -5.715   1.198   1.120  0.00  0.00    +0.081 C 
ATOM     13  C   LIG    1       -5.740  -0.226   0.641  0.00  0.00    -0.010 A 
ATOM     14  C   LIG    1       -6.978  -0.452   0.014  0.00  0.00    +0.040 A 
ATOM     15  C   LIG    1       -7.322  -1.672  -0.541  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1       -6.391  -2.708  -0.458  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -5.153  -2.508   0.173  0.00  0.00    +0.000 A 
ATOM     18  N   LIG    1       -7.747   0.728   0.072  0.00  0.00    -0.273 N 
ATOM     19  C   LIG    1       -9.081   0.846  -0.451  0.00  0.00    +0.138 C 
ATOM     20  C   LIG    1       -4.825  -1.267   0.730  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -7.070   1.747   0.731  0.00  0.00    +0.231 C 
ATOM     22  O   LIG    1       -7.446   2.883   0.972  0.00  0.00    -0.274 OA
ATOM     23  C   LIG    1       -5.055   1.582   2.413  0.00  0.00    +0.031 C 
ENDBRANCH   5  11
BRANCH   1  27
ATOM     24  C   LIG    1        4.517  -0.356  -0.346  0.00  0.00    +0.121 A 
ATOM     25  N   LIG    1        3.829  -1.183  -1.162  0.00  0.00    -0.240 NA
ATOM     26  C   LIG    1        2.530  -0.894  -1.439  0.00  0.00    +0.123 A 
ATOM     27  C   LIG    1        1.835   0.184  -0.914  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1        2.544   1.028  -0.066  0.00  0.00    +0.015 A 
ATOM     29  C   LIG    1        3.884   0.752   0.222  0.00  0.00    +0.044 A 
BRANCH  24  34
ATOM     30  C   LIG    1        9.771  -0.977   0.619  0.00  0.00    +0.105 C 
ATOM     31  N   LIG    1        8.770  -1.147  -0.430  0.00  0.00    -0.302 NA
ATOM     32  C   LIG    1        8.112   0.129  -0.777  0.00  0.00    +0.103 C 
ATOM     33  C   LIG    1        6.814   0.458  -0.001  0.00  0.00    +0.122 C 
ATOM     34  N   LIG    1        5.844  -0.651  -0.045  0.00  0.00    -0.313 N 
ATOM     35  C   LIG    1        6.352  -1.924  -0.583  0.00  0.00    +0.122 C 
ATOM     36  C   LIG    1        7.778  -2.178  -0.043  0.00  0.00    +0.103 C 
ENDBRANCH  24  34
ENDBRANCH   1  27
TORSDOF 3