REMARK  Name = BDB059381
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.245   0.821   1.641  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        0.368   0.746   0.782  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1        0.561   1.223  -0.505  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        0.057   0.769  -1.268  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -0.937   0.090   1.066  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -2.081   0.339   0.291  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1       -3.311  -0.294   0.569  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -3.348  -1.178   1.665  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -2.218  -1.419   2.452  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.016  -0.783   2.155  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -4.509  -0.036  -0.256  0.00  0.00    +0.160 A 
ATOM     12  N   LIG    1       -5.661  -0.644   0.091  0.00  0.00    -0.236 NA
ATOM     13  C   LIG    1       -6.734  -0.392  -0.683  0.00  0.00    +0.114 A 
ATOM     14  C   LIG    1       -6.701   0.435  -1.779  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1       -5.483   1.007  -2.051  0.00  0.00    +0.114 A 
ATOM     16  N   LIG    1       -4.377   0.792  -1.314  0.00  0.00    -0.236 NA
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  N   LIG    1        2.023   1.576  -0.846  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1        2.541   1.813   0.013  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1        2.848   0.360  -1.740  0.00  0.00    +0.074 S 
ATOM     20  O   LIG    1        2.006  -0.820  -1.760  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1        3.316   0.966  -2.968  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1        4.247   0.036  -0.702  0.00  0.00    +0.107 A 
ATOM     23  C   LIG    1        4.085  -0.763   0.434  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        5.185  -1.025   1.250  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        6.436  -0.498   0.926  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.595   0.290  -0.215  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        5.499   0.559  -1.036  0.00  0.00    +0.028 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 5