REMARK  Name = BDB028605
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.694   1.785  -0.122  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.490   1.368   0.540  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.409   1.238  -0.483  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.730   0.844  -0.308  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.131   0.552   1.008  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1        2.214   0.682   2.072  0.00  0.00    +0.052 A 
ATOM      7  O   LIG    1        0.816   1.552  -1.665  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        0.882   1.087   1.863  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1       -0.507   1.892  -1.441  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.893   2.033   0.532  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -1.962   1.763   1.511  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -3.369   2.201  -0.233  0.00  0.00    +0.081 S 
ATOM     13  O   LIG    1       -4.372   2.110   0.814  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -3.287   3.389  -1.057  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -3.309  -0.512  -0.636  0.00  0.00    +0.150 A 
ATOM     16  C   LIG    1       -3.533   0.742  -1.223  0.00  0.00    +0.191 A 
ATOM     17  C   LIG    1       -3.893   0.810  -2.572  0.00  0.00    +0.150 A 
ATOM     18  C   LIG    1       -4.005  -0.365  -3.328  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1       -3.729  -1.603  -2.753  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -3.377  -1.678  -1.408  0.00  0.00    +0.048 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -4.035  -1.183   1.449  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -2.961  -0.623   0.686  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
BRANCH  17  23
ATOM     23  O   LIG    1       -4.262   1.985  -3.166  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -3.257   2.444  -4.073  0.00  0.00    +0.277 C 
ENDBRANCH  17  23
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  25
ATOM     25  O   LIG    1       -0.070   1.220   2.838  0.00  0.00    -0.494 OA
ATOM     26  C   LIG    1        0.357   1.083   4.189  0.00  0.00    +0.277 C 
ENDBRANCH   8  25
BRANCH   5  27
ATOM     27  C   LIG    1        4.556   0.119   1.280  0.00  0.00    +0.179 C 
BRANCH  27  28
ATOM     28  N   LIG    1        4.888  -1.135   0.612  0.00  0.00    -0.264 N 
ATOM     29  C   LIG    1        4.570  -2.416   1.002  0.00  0.00    +0.037 A 
ATOM     30  C   LIG    1        3.772  -2.745   2.207  0.00  0.00    +0.065 C 
ATOM     31  C   LIG    1        5.130  -3.242   0.050  0.00  0.00    +0.044 A 
ATOM     32  C   LIG    1        5.766  -2.379  -0.858  0.00  0.00    +0.134 A 
ATOM     33  N   LIG    1        5.628  -1.097  -0.518  0.00  0.00    -0.179 NA
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 8