REMARK  Name = BDB028607
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.156   0.793   0.376  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        1.085   0.346  -0.147  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.258  -0.895   0.433  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.357  -1.722   0.219  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.339  -1.239  -0.660  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1        3.183   0.023  -1.274  0.00  0.00    +0.052 A 
ATOM      7  O   LIG    1        0.194  -1.171   1.233  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        2.066   0.842  -1.026  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1       -0.701  -0.116   1.189  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -0.736   2.007   0.045  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -0.262   2.623  -0.613  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -2.111   2.633   0.752  0.00  0.00    +0.077 S 
ATOM     13  O   LIG    1       -2.369   3.876   0.052  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -1.911   2.615   2.185  0.00  0.00    -0.150 OA
BRANCH  12  18
ATOM     15  C   LIG    1       -5.370  -0.285  -0.608  0.00  0.00    +0.124 A 
ATOM     16  C   LIG    1       -5.348   0.154   0.716  0.00  0.00    +0.093 A 
ATOM     17  C   LIG    1       -4.350   1.037   1.156  0.00  0.00    +0.150 A 
ATOM     18  C   LIG    1       -3.389   1.506   0.261  0.00  0.00    +0.150 A 
ATOM     19  C   LIG    1       -3.419   1.080  -1.075  0.00  0.00    +0.036 A 
ATOM     20  C   LIG    1       -4.401   0.182  -1.499  0.00  0.00    +0.048 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -7.301  -1.636  -0.296  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -6.279  -1.147  -1.156  0.00  0.00    -0.495 OA
ENDBRANCH  15  22
BRANCH  17  23
ATOM     23  O   LIG    1       -4.423   1.497   2.441  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -3.944   0.515   3.363  0.00  0.00    +0.277 C 
ENDBRANCH  17  23
ENDBRANCH  12  18
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  25
ATOM     25  O   LIG    1        1.848   2.074  -1.582  0.00  0.00    -0.494 OA
ATOM     26  C   LIG    1        2.958   2.686  -2.233  0.00  0.00    +0.277 C 
ENDBRANCH   8  25
BRANCH   5  27
ATOM     27  C   LIG    1        4.566  -2.075  -0.956  0.00  0.00    +0.178 C 
BRANCH  27  28
ATOM     28  N   LIG    1        5.776  -1.454  -0.434  0.00  0.00    -0.267 N 
ATOM     29  N   LIG    1        6.554  -0.702  -1.242  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1        7.557  -0.320  -0.447  0.00  0.00    +0.134 A 
ATOM     31  C   LIG    1        7.429  -0.825   0.859  0.00  0.00    +0.041 A 
ATOM     32  C   LIG    1        6.268  -1.561   0.837  0.00  0.00    +0.108 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 8