REMARK  Name = BDB054883
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.388  -0.080  -0.078  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.932   0.111   1.225  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        0.442   0.127   1.501  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        1.383  -0.057   0.483  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1        0.926  -0.243  -0.820  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -0.447  -0.259  -1.097  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        2.745  -0.017   0.845  0.00  0.00    -0.269 N 
ATOM      8  H   LIG    1        2.935   0.107   1.827  0.00  0.00    +0.156 HD
ATOM      9  C   LIG    1        3.839  -0.331   0.050  0.00  0.00    +0.308 C 
ATOM     10  N   LIG    1        5.016  -0.042   0.726  0.00  0.00    -0.269 N 
ATOM     11  H   LIG    1        4.923   0.563   1.528  0.00  0.00    +0.156 HD
ATOM     12  O   LIG    1        3.775  -0.795  -1.081  0.00  0.00    -0.252 OA
BRANCH  10  13
ATOM     13  C   LIG    1        6.335  -0.318   0.310  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1        6.654  -1.115  -0.794  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        7.990  -1.350  -1.135  0.00  0.00    +0.040 A 
ATOM     16  C   LIG    1        9.005  -0.792  -0.369  0.00  0.00    +0.124 A 
ATOM     17  F   LIG    1       10.284  -1.020  -0.696  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1        8.710  -0.005   0.735  0.00  0.00    +0.040 A 
ATOM     19  C   LIG    1        7.375   0.230   1.076  0.00  0.00    +0.026 A 
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  21
ATOM     20  C   LIG    1       -3.843   0.109   0.374  0.00  0.00    +0.249 C 
ATOM     21  N   LIG    1       -2.750  -0.117  -0.442  0.00  0.00    -0.281 N 
ATOM     22  H   LIG    1       -2.932  -0.264  -1.427  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1       -3.827   0.446   1.552  0.00  0.00    -0.270 OA
BRANCH  20  31
ATOM     24  C   LIG    1       -6.430   2.036   0.701  0.00  0.00    +0.167 A 
ATOM     25  C   LIG    1       -6.201   0.855  -0.054  0.00  0.00    +0.075 A 
ATOM     26  C   LIG    1       -7.408   0.647  -0.700  0.00  0.00    +0.170 A 
ATOM     27  C   LIG    1       -7.672  -0.408  -1.571  0.00  0.00    +0.050 A 
ATOM     28  C   LIG    1       -6.630  -1.313  -1.789  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -5.391  -1.148  -1.163  0.00  0.00    +0.014 A 
ATOM     30  O   LIG    1       -8.284   1.625  -0.349  0.00  0.00    -0.353 OA
ATOM     31  C   LIG    1       -5.155  -0.058  -0.298  0.00  0.00    +0.051 A 
ATOM     32  N   LIG    1       -7.672   2.498   0.532  0.00  0.00    -0.062 NA
BRANCH  24  33
ATOM     33  N   LIG    1       -5.510   2.618   1.496  0.00  0.00    -0.340 N 
ATOM     34  H   LIG    1       -5.860   3.257   2.201  0.00  0.00    +0.144 HD
ATOM     35  H   LIG    1       -4.753   2.026   1.853  0.00  0.00    +0.144 HD
ENDBRANCH  24  33
ENDBRANCH  20  31
ENDBRANCH   1  21
TORSDOF 5