REMARK  Name = BDB054792
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.737  -0.971   1.540  0.00  0.00    +0.094 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.781   0.116   1.309  0.00  0.00    +0.087 A 
ATOM      3  C   LIG    1        3.032  -0.208   0.533  0.00  0.00    +0.059 A 
ATOM      4  N   LIG    1        3.334  -1.503   0.116  0.00  0.00    -0.342 N 
ATOM      5  H   LIG    1        2.970  -2.231   0.725  0.00  0.00    +0.146 HD
ATOM      6  C   LIG    1        4.661  -1.815  -0.410  0.00  0.00    +0.102 C 
ATOM      7  C   LIG    1        5.134  -0.675  -1.305  0.00  0.00    +0.023 C 
ATOM      8  C   LIG    1        5.094   0.663  -0.557  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1        3.838   0.830   0.254  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1        3.528   2.184   0.765  0.00  0.00    +0.270 A 
ATOM     11  O   LIG    1        4.255   3.143   0.530  0.00  0.00    -0.266 OA
ATOM     12  N   LIG    1        2.400   2.291   1.533  0.00  0.00    -0.243 N 
ATOM     13  H   LIG    1        2.160   3.212   1.883  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1        1.509   1.295   1.786  0.00  0.00    -0.174 NA
ENDBRANCH   1   2
BRANCH   1  20
ATOM     15  C   LIG    1       -2.656  -0.301  -0.127  0.00  0.00    +0.072 A 
ATOM     16  C   LIG    1       -2.395  -0.839  -1.401  0.00  0.00    +0.145 A 
ATOM     17  F   LIG    1       -3.316  -0.801  -2.376  0.00  0.00    -0.204 F 
ATOM     18  C   LIG    1       -1.165  -1.413  -1.724  0.00  0.00    +0.040 A 
ATOM     19  C   LIG    1       -0.149  -1.466  -0.777  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -0.363  -0.941   0.501  0.00  0.00    -0.040 A 
ATOM     21  C   LIG    1       -1.611  -0.360   0.808  0.00  0.00    +0.030 A 
BRANCH  15  24
ATOM     22  O   LIG    1       -3.535   1.259   2.330  0.00  0.00    -0.275 OA
ATOM     23  C   LIG    1       -4.230   1.009   1.358  0.00  0.00    +0.220 C 
ATOM     24  N   LIG    1       -3.921   0.274   0.202  0.00  0.00    -0.269 N 
ATOM     25  C   LIG    1       -5.039   0.273  -0.715  0.00  0.00    +0.114 C 
ATOM     26  C   LIG    1       -6.231   0.645   0.142  0.00  0.00    +0.029 C 
ATOM     27  C   LIG    1       -5.634   1.545   1.203  0.00  0.00    +0.098 C 
ENDBRANCH  15  24
ENDBRANCH   1  20
TORSDOF 3