REMARK  Name = BDB028510
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.346   0.542   0.047  0.00  0.00    -0.180 NA
ATOM      2  C   LIG    1        4.188  -0.094  -1.297  0.00  0.00    +0.128 C 
ATOM      3  C   LIG    1        4.240  -1.625  -1.181  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1        3.253  -2.179  -0.243  0.00  0.00    -0.284 N 
ATOM      5  C   LIG    1        1.963  -2.349  -0.712  0.00  0.00    +0.302 C 
ATOM      6  N   LIG    1        1.073  -2.831   0.208  0.00  0.00    -0.297 N 
ATOM      7  H   LIG    1        1.486  -3.517   0.824  0.00  0.00    +0.150 HD
ATOM      8  O   LIG    1        1.623  -2.047  -1.853  0.00  0.00    -0.253 OA
ATOM      9  C   LIG    1        3.586  -2.017   1.174  0.00  0.00    +0.110 C 
ATOM     10  C   LIG    1        3.093  -0.704   1.786  0.00  0.00    +0.036 C 
ATOM     11  C   LIG    1        3.106   0.507   0.859  0.00  0.00    +0.110 C 
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1        4.346   3.137  -0.719  0.00  0.00    +0.215 C 
ATOM     13  S   LIG    1        5.318   1.919   0.148  0.00  0.00    +0.029 S 
ATOM     14  O   LIG    1        6.519   1.671  -0.621  0.00  0.00    -0.158 OA
ATOM     15  O   LIG    1        5.391   2.307   1.541  0.00  0.00    -0.158 OA
ENDBRANCH   1  13
BRANCH   6  16
ATOM     16  C   LIG    1       -0.325  -3.085  -0.136  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.123  -1.794  -0.439  0.00  0.00    +0.146 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -0.943  -1.420  -1.810  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1        0.010  -1.538  -2.021  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1       -2.633  -2.030  -0.165  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.553  -0.878  -0.181  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1       -3.286   0.085   0.897  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -4.217   1.281   0.876  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -4.905   1.636  -0.299  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -5.736   2.764  -0.306  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -5.863   3.551   0.838  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -5.168   3.214   1.998  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -4.800   0.764  -1.526  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1       -4.347   2.087   2.017  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -3.592  -0.184  -1.474  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   6  16
TORSDOF 6