REMARK  Name = BDB053238
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.309  -0.306   1.777  0.00  0.00    +0.132 A 
ATOM      2  C   LIG    1       -0.017   0.170   1.690  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1       -0.387   1.114   2.655  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1       -1.673   1.633   2.615  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1       -2.607   1.229   1.654  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -2.276   0.270   0.693  0.00  0.00    -0.017 A 
ATOM      7  N   LIG    1        0.442   1.534   3.613  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1        1.662   0.988   3.629  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1       -0.975  -0.253   0.728  0.00  0.00    +0.022 A 
ATOM     10  N   LIG    1        2.137   0.090   2.761  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -3.252  -0.176  -0.315  0.00  0.00    -0.014 A 
ATOM     12  C   LIG    1       -3.953   0.757  -1.101  0.00  0.00    +0.058 A 
ATOM     13  C   LIG    1       -4.858   0.291  -2.034  0.00  0.00    +0.167 A 
ATOM     14  O   LIG    1       -5.607   1.062  -2.866  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1       -6.338   0.050  -3.589  0.00  0.00    +0.466 C 
ATOM     16  O   LIG    1       -6.014  -1.295  -3.178  0.00  0.00    -0.453 OA
ATOM     17  C   LIG    1       -5.089  -1.051  -2.212  0.00  0.00    +0.166 A 
ATOM     18  C   LIG    1       -4.430  -2.002  -1.468  0.00  0.00    +0.050 A 
ATOM     19  C   LIG    1       -3.507  -1.557  -0.515  0.00  0.00    +0.012 A 
ENDBRANCH   6  11
BRANCH   1  20
ATOM     20  N   LIG    1        1.799  -1.213   0.805  0.00  0.00    -0.312 N 
ATOM     21  C   LIG    1        2.842  -2.097   1.333  0.00  0.00    +0.131 C 
BRANCH  20  22
ATOM     22  C   LIG    1        2.200  -0.511  -0.439  0.00  0.00    +0.162 C 
BRANCH  22  27
ATOM     23  C   LIG    1        7.025   0.409  -1.201  0.00  0.00    +0.073 C 
ATOM     24  C   LIG    1        5.614   0.666  -0.803  0.00  0.00    +0.076 A 
ATOM     25  S   LIG    1        5.165   2.199  -0.172  0.00  0.00    -0.080 S 
ATOM     26  C   LIG    1        3.554   1.647  -0.007  0.00  0.00    +0.071 A 
ATOM     27  C   LIG    1        3.451   0.336  -0.436  0.00  0.00    +0.066 A 
ATOM     28  N   LIG    1        4.642  -0.215  -0.899  0.00  0.00    -0.248 NA
ENDBRANCH  22  27
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 4