REMARK  Name = BDB058498
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.029   0.548   0.343  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1       -0.540  -0.103   1.463  0.00  0.00    +0.001 A 
ATOM      3  C   LIG    1        0.864   0.123   1.639  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1        1.410   0.932   0.658  0.00  0.00    +0.075 A 
ATOM      5  S   LIG    1        0.211   1.421  -0.462  0.00  0.00    -0.083 S 
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1       -5.004   0.575  -1.325  0.00  0.00    -0.042 A 
ATOM      7  C   LIG    1       -4.245  -0.604  -1.261  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -2.950  -0.609  -0.725  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -2.375   0.567  -0.236  0.00  0.00    -0.011 A 
ATOM     10  C   LIG    1       -3.117   1.749  -0.294  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1       -4.409   1.751  -0.830  0.00  0.00    +0.005 A 
BRANCH   6  13
ATOM     12  C   LIG    1       -6.471   1.585  -3.108  0.00  0.00    +0.015 C 
ATOM     13  C   LIG    1       -6.429   0.616  -1.907  0.00  0.00    -0.013 C 
ATOM     14  C   LIG    1       -7.417   1.104  -0.825  0.00  0.00    +0.015 C 
ATOM     15  C   LIG    1       -6.939  -0.754  -2.407  0.00  0.00    +0.015 C 
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  16
ATOM     16  C   LIG    1       -1.308  -0.919   2.411  0.00  0.00    +0.021 A 
ATOM     17  C   LIG    1       -2.636  -0.803   2.760  0.00  0.00    +0.203 A 
ATOM     18  O   LIG    1       -2.972  -1.748   3.678  0.00  0.00    -0.470 OA
ATOM     19  C   LIG    1       -1.853  -2.477   3.920  0.00  0.00    +0.195 A 
ATOM     20  C   LIG    1       -0.800  -2.007   3.168  0.00  0.00    +0.049 A 
ENDBRANCH   2  16
BRANCH   4  21
ATOM     21  C   LIG    1        2.779   1.402   0.475  0.00  0.00    +0.251 C 
ATOM     22  N   LIG    1        3.732   0.726   1.217  0.00  0.00    -0.311 N 
ATOM     23  H   LIG    1        3.468  -0.115   1.708  0.00  0.00    +0.149 HD
ATOM     24  O   LIG    1        3.099   2.315  -0.283  0.00  0.00    -0.270 OA
BRANCH  22  25
ATOM     25  C   LIG    1        5.147   1.013   1.082  0.00  0.00    +0.108 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.777   0.324  -0.141  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1        5.636  -1.208  -0.048  0.00  0.00    +0.020 C 
ATOM     28  C   LIG    1        6.732  -1.914  -0.839  0.00  0.00    +0.081 C 
ATOM     29  N   LIG    1        8.076  -1.605  -0.355  0.00  0.00    -0.316 NA
ATOM     30  H   LIG    1        8.399  -2.327   0.288  0.00  0.00    +0.122 HD
ATOM     31  C   LIG    1        8.202  -0.294   0.281  0.00  0.00    +0.081 C 
ATOM     32  C   LIG    1        7.250   0.741  -0.311  0.00  0.00    +0.020 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   4  21
TORSDOF 6