REMARK  Name = BDB053772
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.109   0.315   0.493  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -0.637   1.489   0.614  0.00  0.00    -0.278 N 
ATOM      3  C   LIG    1       -0.158   2.211   1.707  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1        0.946   1.524   2.217  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1        1.616   2.050   3.334  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1        1.143   3.245   3.843  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        0.107   3.933   3.326  0.00  0.00    -0.261 NA
ATOM      8  C   LIG    1       -0.546   3.436   2.251  0.00  0.00    +0.137 A 
ATOM      9  C   LIG    1        1.156   0.373   1.402  0.00  0.00    +0.106 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        2.189  -0.640   1.587  0.00  0.00    +0.252 C 
ATOM     11  N   LIG    1        2.904  -1.065   0.471  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        3.853  -2.163   0.638  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        4.256  -2.794  -0.705  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        4.801  -1.852  -1.698  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        5.820  -1.864  -1.662  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        4.336  -0.472  -1.476  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        2.947  -0.368  -0.820  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        2.427  -1.082   2.710  0.00  0.00    -0.270 OA
ENDBRANCH   9  10
BRANCH   2  19
ATOM     19  C   LIG    1       -1.685   1.917  -0.248  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1       -2.886   2.400   0.285  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -3.905   2.816  -0.572  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -3.727   2.756  -1.954  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -2.530   2.278  -2.485  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -1.507   1.857  -1.634  0.00  0.00    +0.026 A 
ENDBRANCH   2  19
BRANCH   1  25
ATOM     25  O   LIG    1       -0.175  -0.692  -0.346  0.00  0.00    -0.438 OA
BRANCH  25  28
ATOM     26  C   LIG    1       -0.933  -1.442  -2.953  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1       -1.841  -1.596  -1.761  0.00  0.00    -0.008 A 
ATOM     28  C   LIG    1       -1.429  -1.263  -0.450  0.00  0.00    +0.139 A 
ATOM     29  C   LIG    1       -2.250  -1.572   0.652  0.00  0.00    +0.027 A 
ATOM     30  C   LIG    1       -1.838  -1.393   2.084  0.00  0.00    +0.050 C 
ATOM     31  C   LIG    1       -3.526  -2.091   0.396  0.00  0.00    +0.130 A 
ATOM     32  F   LIG    1       -4.358  -2.353   1.416  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1       -3.964  -2.372  -0.892  0.00  0.00    +0.039 A 
ATOM     34  C   LIG    1       -3.114  -2.148  -1.968  0.00  0.00    +0.010 A 
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 4