REMARK  Name = BDB035058
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.377   0.296  -0.743  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.924  -0.102  -0.339  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        0.963   0.221   1.004  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.060   0.011   1.831  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.193  -0.572   1.238  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1        3.180  -0.913  -0.131  0.00  0.00    +0.052 A 
ATOM      7  O   LIG    1       -0.229   0.761   1.372  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        2.055  -0.683  -0.945  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1       -1.077   0.799   0.278  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -0.864   0.138  -2.031  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -0.271  -0.291  -2.739  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -2.293   0.788  -2.594  0.00  0.00    +0.077 S 
ATOM     13  O   LIG    1       -2.405   0.327  -3.965  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -2.280   2.201  -2.286  0.00  0.00    -0.150 OA
BRANCH  12  18
ATOM     15  C   LIG    1       -5.451  -1.515  -0.222  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1       -5.583  -0.133  -0.378  0.00  0.00    +0.064 A 
ATOM     17  C   LIG    1       -4.621   0.593  -1.092  0.00  0.00    +0.148 A 
ATOM     18  C   LIG    1       -3.541  -0.071  -1.673  0.00  0.00    +0.150 A 
ATOM     19  C   LIG    1       -3.418  -1.463  -1.530  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1       -4.368  -2.180  -0.799  0.00  0.00    +0.019 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -7.257  -2.866   1.133  0.00  0.00    +0.009 C 
ATOM     22  C   LIG    1       -6.433  -2.250   0.514  0.00  0.00    -0.070 C 
ENDBRANCH  15  22
BRANCH  17  23
ATOM     23  O   LIG    1       -4.835   1.928  -1.289  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -4.542   2.675  -0.106  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        1.961  -0.992  -2.275  0.00  0.00    -0.494 OA
ATOM     26  C   LIG    1        3.168  -1.341  -2.944  0.00  0.00    +0.277 C 
ENDBRANCH   8  25
BRANCH   5  27
ATOM     27  C   LIG    1        4.425  -0.831   2.078  0.00  0.00    +0.178 C 
BRANCH  27  28
ATOM     28  N   LIG    1        5.086   0.410   2.457  0.00  0.00    -0.267 N 
ATOM     29  N   LIG    1        4.901   0.924   3.690  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1        5.649   2.030   3.687  0.00  0.00    +0.134 A 
ATOM     31  C   LIG    1        6.323   2.218   2.467  0.00  0.00    +0.041 A 
ATOM     32  C   LIG    1        5.945   1.148   1.690  0.00  0.00    +0.108 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 8