REMARK  Name = BDB052275
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.644  -1.510   0.263  0.00  0.00    +0.093 A 
ATOM      2  C   LIG    1        1.239  -1.258   0.342  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1        0.648  -2.516   0.353  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1       -0.736  -2.720   0.429  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1       -1.562  -1.587   0.499  0.00  0.00    +0.053 A 
ATOM      6  C   LIG    1       -0.981  -0.291   0.478  0.00  0.00    +0.050 A 
ATOM      7  N   LIG    1        1.689  -3.399   0.277  0.00  0.00    -0.276 N 
ATOM      8  H   LIG    1        1.638  -4.410   0.262  0.00  0.00    +0.189 HD
ATOM      9  C   LIG    1        0.411  -0.121   0.408  0.00  0.00    +0.037 A 
ATOM     10  N   LIG    1        2.900  -2.826   0.218  0.00  0.00    -0.173 NA
ENDROOT
BRANCH   5  11
ATOM     11  N   LIG    1       -2.974  -1.673   0.535  0.00  0.00    -0.328 N 
ATOM     12  C   LIG    1       -3.557  -1.835  -0.813  0.00  0.00    +0.105 C 
ATOM     13  C   LIG    1       -4.814  -2.664  -0.576  0.00  0.00    +0.020 C 
ATOM     14  C   LIG    1       -4.382  -3.593   0.543  0.00  0.00    +0.020 C 
ATOM     15  C   LIG    1       -3.560  -2.676   1.442  0.00  0.00    +0.105 C 
ENDBRANCH   5  11
BRANCH   1  17
ATOM     16  C   LIG    1        4.976  -0.728   0.142  0.00  0.00    +0.010 C 
ATOM     17  C   LIG    1        3.655  -0.492   0.229  0.00  0.00    +0.031 C 
BRANCH  16  18
ATOM     18  C   LIG    1        6.000   0.324   0.120  0.00  0.00    -0.025 A 
ATOM     19  C   LIG    1        5.844   1.504  -0.619  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1        6.854   2.470  -0.636  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        8.032   2.261   0.077  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        8.206   1.085   0.802  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        7.197   0.118   0.819  0.00  0.00    +0.008 A 
ENDBRANCH  16  18
ENDBRANCH   1  17
BRANCH   6  24
ATOM     24  N   LIG    1       -1.848   0.840   0.557  0.00  0.00    -0.337 N 
ATOM     25  H   LIG    1       -2.784   0.424   0.669  0.00  0.00    +0.147 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -1.822   1.643  -0.671  0.00  0.00    +0.157 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -2.965   2.642  -0.676  0.00  0.00    +0.058 A 
ATOM     28  N   LIG    1       -3.896   2.532  -1.660  0.00  0.00    -0.258 NA
ATOM     29  C   LIG    1       -4.911   3.424  -1.655  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1       -5.050   4.431  -0.715  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -4.092   4.531   0.286  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1       -3.035   3.627   0.310  0.00  0.00    +0.025 A 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   6  24
TORSDOF 6