REMARK  Name = BDB028700
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.501   2.062  -0.676  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.462   1.057  -0.945  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.588   1.784  -1.292  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.819   1.226  -1.625  0.00  0.00    +0.056 A 
ATOM      5  C   LIG    1        2.904  -0.178  -1.628  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1        1.765  -0.946  -1.319  0.00  0.00    +0.053 A 
ATOM      7  O   LIG    1        1.298   3.112  -1.273  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        0.542  -0.347  -0.962  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1       -0.031   3.289  -0.924  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.830   1.898  -0.290  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -2.341   2.772  -0.424  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -2.135   1.459   1.326  0.00  0.00    +0.081 S 
ATOM     13  O   LIG    1       -2.549   2.667   2.014  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -1.005   0.690   1.806  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -4.647   0.867   0.361  0.00  0.00    +0.150 A 
ATOM     16  C   LIG    1       -3.584   0.428   1.181  0.00  0.00    +0.191 A 
ATOM     17  C   LIG    1       -3.680  -0.780   1.898  0.00  0.00    +0.150 A 
ATOM     18  C   LIG    1       -4.818  -1.577   1.724  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1       -5.851  -1.171   0.882  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -5.771   0.048   0.211  0.00  0.00    +0.048 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -5.651   2.608  -0.948  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -4.526   2.091  -0.244  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
BRANCH  17  23
ATOM     23  O   LIG    1       -2.664  -1.114   2.746  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -2.834  -2.228   3.611  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       -0.584  -1.098  -0.724  0.00  0.00    -0.494 OA
ATOM     26  C   LIG    1       -0.374  -2.111   0.259  0.00  0.00    +0.277 C 
ENDBRANCH   8  25
BRANCH   5  27
ATOM     27  C   LIG    1        4.211  -0.863  -1.978  0.00  0.00    +0.193 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.361  -0.540  -1.028  0.00  0.00    +0.074 A 
ATOM     29  N   LIG    1        6.469   0.031  -1.583  0.00  0.00    -0.257 NA
ATOM     30  C   LIG    1        7.497   0.320  -0.753  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1        7.485   0.061   0.607  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        6.353  -0.529   1.155  0.00  0.00    +0.003 A 
ATOM     33  C   LIG    1        5.274  -0.839   0.331  0.00  0.00    +0.026 A 
ENDBRANCH  27  28
BRANCH  27  34
ATOM     34  O   LIG    1        4.551  -0.490  -3.319  0.00  0.00    -0.381 OA
ATOM     35  H   LIG    1        5.479  -0.180  -3.256  0.00  0.00    +0.211 HD
ENDBRANCH  27  34
ENDBRANCH   5  27
TORSDOF 9