REMARK  Name = BDB059298
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.160   0.195  -0.809  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        1.180   0.408   0.101  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        1.098   0.126   1.076  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.334   0.283  -2.021  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1       -2.752  -2.040   2.643  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -2.587  -1.220   1.397  0.00  0.00    -0.049 A 
ATOM      7  C   LIG    1       -3.714  -0.703   0.737  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -3.607   0.078  -0.432  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -2.310   0.340  -0.911  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -1.173  -0.137  -0.245  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1       -1.312  -0.924   0.904  0.00  0.00    +0.016 A 
BRANCH   8  12
ATOM     12  C   LIG    1       -4.805   0.599  -1.124  0.00  0.00    +0.160 A 
ATOM     13  N   LIG    1       -6.015   0.275  -0.625  0.00  0.00    -0.236 NA
ATOM     14  C   LIG    1       -7.087   0.763  -1.277  0.00  0.00    +0.114 A 
ATOM     15  C   LIG    1       -7.000   1.556  -2.395  0.00  0.00    +0.039 A 
ATOM     16  C   LIG    1       -5.725   1.833  -2.824  0.00  0.00    +0.114 A 
ATOM     17  N   LIG    1       -4.618   1.374  -2.212  0.00  0.00    -0.236 NA
ENDBRANCH   8  12
ENDBRANCH   1  10
BRANCH   2  18
ATOM     18  N   LIG    1        2.605   0.351  -0.470  0.00  0.00    -0.108 NA
ATOM     19  H   LIG    1        2.562   0.318  -1.502  0.00  0.00    +0.172 HD
BRANCH  18  20
ATOM     20  S   LIG    1        3.499  -1.002   0.079  0.00  0.00    +0.074 S 
ATOM     21  O   LIG    1        2.928  -1.405   1.351  0.00  0.00    -0.152 OA
ATOM     22  O   LIG    1        3.610  -1.921  -1.032  0.00  0.00    -0.152 OA
BRANCH  20  23
ATOM     23  C   LIG    1        5.083  -0.270   0.380  0.00  0.00    +0.107 A 
ATOM     24  C   LIG    1        5.308   0.407   1.583  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1        6.562   0.966   1.831  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        7.582   0.841   0.886  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.355   0.154  -0.308  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        6.104  -0.408  -0.564  0.00  0.00    +0.028 A 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 5