REMARK  Name = BDB049889
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.247   0.250  -0.118  0.00  0.00    -0.006 A 
ATOM      2  C   LIG    1        2.169   1.146  -0.122  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        0.856   0.630  -0.078  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1        0.581  -0.748  -0.028  0.00  0.00    +0.038 A 
ATOM      5  N   LIG    1       -0.748  -1.233   0.018  0.00  0.00    -0.300 N 
ATOM      6  C   LIG    1       -0.922  -2.629   0.448  0.00  0.00    +0.111 C 
ATOM      7  C   LIG    1        0.072  -3.529  -0.273  0.00  0.00    +0.024 C 
ATOM      8  C   LIG    1        1.487  -3.118   0.095  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        1.681  -1.627  -0.009  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1        2.994  -1.126  -0.048  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -1.941  -0.518  -0.238  0.00  0.00    +0.036 A 
ATOM     12  C   LIG    1       -3.023  -0.562   0.661  0.00  0.00    +0.051 A 
ATOM     13  C   LIG    1       -4.159   0.157   0.347  0.00  0.00    +0.071 A 
ATOM     14  N   LIG    1       -5.363   0.297   1.051  0.00  0.00    -0.295 N 
ATOM     15  C   LIG    1       -6.227   1.144   0.323  0.00  0.00    +0.330 A 
ATOM     16  N   LIG    1       -5.521   1.512  -0.843  0.00  0.00    -0.295 N 
ATOM     17  C   LIG    1       -6.010   2.378  -1.876  0.00  0.00    +0.154 C 
ATOM     18  O   LIG    1       -7.356   1.487   0.638  0.00  0.00    -0.246 OA
ATOM     19  C   LIG    1       -5.661  -0.310   2.315  0.00  0.00    +0.154 C 
ATOM     20  C   LIG    1       -4.258   0.910  -0.823  0.00  0.00    +0.070 A 
ATOM     21  C   LIG    1       -3.225   0.977  -1.728  0.00  0.00    +0.030 A 
ATOM     22  C   LIG    1       -2.064   0.254  -1.425  0.00  0.00    +0.025 A 
ENDBRANCH   5  11
BRANCH   1  27
ATOM     23  C   LIG    1        7.987   1.058   1.066  0.00  0.00    +0.172 C 
ATOM     24  N   LIG    1        6.716   1.040   0.382  0.00  0.00    -0.274 N 
ATOM     25  N   LIG    1        6.596   1.659  -0.806  0.00  0.00    -0.179 NA
ATOM     26  C   LIG    1        5.323   1.442  -1.148  0.00  0.00    +0.142 A 
ATOM     27  C   LIG    1        4.623   0.700  -0.172  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        5.561   0.452   0.808  0.00  0.00    +0.116 A 
ENDBRANCH   1  27
BRANCH   2  29
ATOM     29  C   LIG    1        2.368   2.640  -0.177  0.00  0.00    +0.372 C 
ATOM     30  F   LIG    1        2.725   3.067  -1.421  0.00  0.00    -0.204 F 
ATOM     31  F   LIG    1        1.241   3.346   0.135  0.00  0.00    -0.204 F 
ENDBRANCH   2  29
TORSDOF 3