REMARK  Name = BDB043102
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.285  -2.465   0.201  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1       -0.846  -1.920   0.335  0.00  0.00    +0.236 C 
ATOM      3  O   LIG    1       -0.249  -2.086   1.407  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -0.303  -1.108  -0.636  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -0.810  -0.812  -1.980  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1        0.122   0.300  -2.483  0.00  0.00    +0.028 C 
ATOM      7  C   LIG    1        1.456  -0.078  -1.838  0.00  0.00    +0.014 C 
ATOM      8  C   LIG    1        2.516   1.018  -1.874  0.00  0.00    +0.021 C 
ATOM      9  C   LIG    1        2.294   2.112  -0.831  0.00  0.00    +0.085 C 
ATOM     10  N   LIG    1        2.100   1.607   0.532  0.00  0.00    -0.300 NA
ATOM     11  C   LIG    1        0.942   0.694   0.558  0.00  0.00    +0.107 C 
ATOM     12  C   LIG    1       -2.269  -0.380  -2.010  0.00  0.00    +0.022 C 
ATOM     13  C   LIG    1       -3.226  -1.568  -2.026  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1        1.022  -0.501  -0.427  0.00  0.00    +0.094 C 
ATOM     15  C   LIG    1       -2.771  -2.777  -1.212  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1       -4.431  -1.984   1.351  0.00  0.00    +0.230 C 
ATOM     17  N   LIG    1       -3.167  -1.587   0.967  0.00  0.00    -0.303 N 
ATOM     18  H   LIG    1       -2.717  -0.872   1.527  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1       -4.947  -3.038   0.982  0.00  0.00    -0.274 OA
BRANCH  16  20
ATOM     20  C   LIG    1       -5.137  -1.008   2.321  0.00  0.00    +0.137 C 
ATOM     21  C   LIG    1       -4.939  -1.542   3.739  0.00  0.00    +0.034 C 
BRANCH  20  23
ATOM     22  C   LIG    1       -7.356  -0.069   2.786  0.00  0.00    +0.101 C 
ATOM     23  N   LIG    1       -6.543  -0.881   1.898  0.00  0.00    -0.309 NA
ATOM     24  H   LIG    1       -6.940  -1.820   1.809  0.00  0.00    +0.122 HD
ENDBRANCH  20  23
ENDBRANCH  16  20
ENDBRANCH   1  17
BRANCH  10  25
ATOM     25  C   LIG    1        3.291   0.974   1.134  0.00  0.00    +0.089 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.474   1.928   1.409  0.00  0.00    +0.050 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.512   2.013   0.312  0.00  0.00    -0.046 A 
ATOM     28  C   LIG    1        6.223   0.875  -0.096  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1        7.188   0.963  -1.100  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        7.463   2.189  -1.699  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        6.777   3.331  -1.291  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        5.811   3.244  -0.287  0.00  0.00    +0.003 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  10  25
TORSDOF 6