REMARK  Name = BDB051797
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.579   0.864   0.786  0.00  0.00    +0.236 C 
ATOM      2  N   LIG    1       -2.787  -0.247   0.512  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1       -1.857  -0.709   1.550  0.00  0.00    +0.127 C 
ATOM      4  C   LIG    1       -0.538  -1.247   0.979  0.00  0.00    +0.127 C 
ATOM      5  N   LIG    1       -0.729  -2.269  -0.060  0.00  0.00    -0.294 N 
ATOM      6  C   LIG    1        0.291  -3.038  -0.610  0.00  0.00    +0.249 C 
ATOM      7  O   LIG    1        0.143  -3.780  -1.578  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.069  -2.353  -0.647  0.00  0.00    +0.127 C 
ATOM      9  C   LIG    1       -2.730  -0.973  -0.768  0.00  0.00    +0.127 C 
ATOM     10  O   LIG    1       -3.473   1.446   1.873  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        1.650  -2.918  -0.061  0.00  0.00    +0.072 A 
ATOM     12  C   LIG    1        1.961  -3.446   1.187  0.00  0.00    +0.135 A 
ATOM     13  F   LIG    1        1.021  -4.037   1.938  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        3.258  -3.357   1.680  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1        4.252  -2.746   0.911  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1        3.956  -2.219  -0.357  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1        2.646  -2.328  -0.847  0.00  0.00    +0.020 A 
BRANCH  16  18
ATOM     18  C   LIG    1        5.041  -1.593  -1.205  0.00  0.00    +0.092 C 
BRANCH  18  19
ATOM     19  C   LIG    1        5.787  -0.463  -0.496  0.00  0.00    +0.069 A 
ATOM     20  C   LIG    1        5.159   0.901  -0.388  0.00  0.00    -0.019 A 
ATOM     21  C   LIG    1        3.839   1.141  -1.056  0.00  0.00    +0.046 C 
ATOM     22  C   LIG    1        5.854   1.826   0.305  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        5.428   3.238   0.590  0.00  0.00    +0.050 C 
ATOM     24  C   LIG    1        7.187   1.474   0.876  0.00  0.00    +0.268 A 
ATOM     25  O   LIG    1        7.859   2.289   1.501  0.00  0.00    -0.266 OA
ATOM     26  N   LIG    1        7.622   0.198   0.661  0.00  0.00    -0.243 N 
ATOM     27  H   LIG    1        8.528  -0.053   1.043  0.00  0.00    +0.192 HD
ATOM     28  N   LIG    1        6.947  -0.774   0.001  0.00  0.00    -0.175 NA
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   6  11
BRANCH   1  29
ATOM     29  C   LIG    1       -4.662   1.351  -0.234  0.00  0.00    +0.096 C 
ATOM     30  N   LIG    1       -4.077   1.494  -1.605  0.00  0.00    -0.303 NA
ATOM     31  H   LIG    1       -3.163   1.940  -1.492  0.00  0.00    +0.123 HD
ATOM     32  C   LIG    1       -4.937   2.441  -2.326  0.00  0.00    +0.082 C 
ATOM     33  C   LIG    1       -5.539   3.360  -1.277  0.00  0.00    +0.017 C 
ATOM     34  C   LIG    1       -5.051   2.811   0.054  0.00  0.00    +0.033 C 
BRANCH  29  36
ATOM     35  C   LIG    1       -6.526   0.189   1.136  0.00  0.00    +0.006 C 
ATOM     36  C   LIG    1       -5.893   0.406  -0.236  0.00  0.00    +0.028 C 
ENDBRANCH  29  36
ENDBRANCH   1  29
TORSDOF 5