REMARK  Name = BDB001043
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.265  -0.703   0.586  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -1.367   0.003   0.091  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -2.412  -0.679  -0.550  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -2.345  -2.076  -0.660  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.259  -2.782  -0.137  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.220  -2.098   0.493  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  11
ATOM      7  N   LIG    1        5.226  -0.312   0.589  0.00  0.00    -0.180 NA
ATOM      8  C   LIG    1        4.490  -0.313   1.893  0.00  0.00    +0.128 C 
ATOM      9  C   LIG    1        3.174   0.461   1.743  0.00  0.00    +0.125 C 
ATOM     10  N   LIG    1        2.151  -0.217   0.932  0.00  0.00    -0.296 N 
ATOM     11  C   LIG    1        0.816   0.047   1.270  0.00  0.00    +0.247 C 
ATOM     12  O   LIG    1        0.486   0.858   2.133  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1        2.549  -0.672  -0.408  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        3.481  -1.877  -0.344  0.00  0.00    +0.036 C 
ATOM     15  C   LIG    1        4.963  -1.514  -0.243  0.00  0.00    +0.110 C 
BRANCH   7  16
ATOM     16  S   LIG    1        6.856   0.169   0.708  0.00  0.00    +0.032 S 
ATOM     17  O   LIG    1        6.911   1.349   1.544  0.00  0.00    -0.158 OA
ATOM     18  O   LIG    1        7.628  -1.011   1.035  0.00  0.00    -0.158 OA
BRANCH  16  20
ATOM     19  C   LIG    1        6.335   1.740  -1.502  0.00  0.00    +0.029 C 
ATOM     20  C   LIG    1        7.263   0.670  -0.963  0.00  0.00    +0.182 C 
ENDBRANCH  16  20
ENDBRANCH   7  16
ENDBRANCH   1  11
BRANCH   3  21
ATOM     21  C   LIG    1       -3.607   0.078  -1.084  0.00  0.00    +0.093 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.831   0.105  -0.172  0.00  0.00    +0.074 A 
ATOM     23  C   LIG    1       -5.993   0.939  -0.581  0.00  0.00    +0.011 A 
ATOM     24  C   LIG    1       -7.098   0.958   0.267  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1       -8.228   1.722  -0.051  0.00  0.00    +0.014 A 
ATOM     26  C   LIG    1       -8.251   2.469  -1.227  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -7.151   2.451  -2.082  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -7.071   0.158   1.501  0.00  0.00    +0.272 A 
ATOM     29  O   LIG    1       -8.021   0.146   2.276  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -5.929  -0.571   1.720  0.00  0.00    -0.242 N 
ATOM     31  H   LIG    1       -5.882  -1.123   2.571  0.00  0.00    +0.192 HD
ATOM     32  C   LIG    1       -6.022   1.688  -1.764  0.00  0.00    +0.010 A 
ATOM     33  N   LIG    1       -4.833  -0.606   0.917  0.00  0.00    -0.175 NA
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 5