REMARK  Name = BDB028715
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.574   1.080   0.196  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.819  -0.079   0.261  0.00  0.00    +0.062 A 
ATOM      3  C   LIG    1       -0.457  -0.396   0.887  0.00  0.00    +0.144 C 
ATOM      4  N   LIG    1       -0.894  -1.608   0.732  0.00  0.00    -0.263 NA
ATOM      5  C   LIG    1        0.154  -2.293  -0.081  0.00  0.00    +0.179 C 
ATOM      6  C   LIG    1        1.203  -1.267  -0.340  0.00  0.00    -0.012 A 
ATOM      7  C   LIG    1        2.390  -1.355  -1.042  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        3.201  -0.208  -1.138  0.00  0.00    -0.009 A 
ATOM      9  C   LIG    1        2.776   1.002  -0.517  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        1.905   3.350   0.823  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1        1.080   2.189   0.818  0.00  0.00    -0.494 OA
ENDBRANCH   1  11
BRANCH   3  12
ATOM     12  N   LIG    1       -1.109   0.608   1.592  0.00  0.00    -0.199 N 
ATOM     13  H   LIG    1       -0.758   1.562   1.532  0.00  0.00    +0.175 HD
BRANCH  12  14
ATOM     14  S   LIG    1       -2.624   0.521   2.279  0.00  0.00    +0.080 S 
ATOM     15  O   LIG    1       -2.554  -0.482   3.321  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1       -2.989   1.887   2.609  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -3.680   0.010   0.955  0.00  0.00    +0.191 A 
ATOM     18  C   LIG    1       -3.632   0.699  -0.267  0.00  0.00    +0.150 A 
ATOM     19  C   LIG    1       -4.425   0.288  -1.345  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1       -5.311  -0.774  -1.194  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -5.398  -1.432   0.030  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1       -4.574  -1.055   1.099  0.00  0.00    +0.150 A 
BRANCH  18  23
ATOM     23  O   LIG    1       -2.771   1.749  -0.458  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -3.484   2.988  -0.506  0.00  0.00    +0.277 C 
ENDBRANCH  18  23
BRANCH  22  25
ATOM     25  O   LIG    1       -4.766  -1.692   2.294  0.00  0.00    -0.493 OA
ATOM     26  C   LIG    1       -4.124  -2.969   2.299  0.00  0.00    +0.277 C 
ENDBRANCH  22  25
ENDBRANCH  14  17
ENDBRANCH  12  14
ENDBRANCH   3  12
BRANCH   8  27
ATOM     27  C   LIG    1        4.522  -0.234  -1.890  0.00  0.00    +0.196 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.588  -0.261  -0.845  0.00  0.00    +0.112 A 
ATOM     29  N   LIG    1        6.445   0.810  -0.663  0.00  0.00    -0.218 NA
ATOM     30  C   LIG    1        7.235   0.413   0.310  0.00  0.00    +0.307 A 
ATOM     31  O   LIG    1        6.986  -0.837   0.782  0.00  0.00    -0.450 OA
ATOM     32  C   LIG    1        5.932  -1.265   0.035  0.00  0.00    +0.223 A 
ENDBRANCH  27  28
BRANCH  27  33
ATOM     33  O   LIG    1        4.610  -1.355  -2.767  0.00  0.00    -0.381 OA
ATOM     34  H   LIG    1        5.485  -1.287  -3.189  0.00  0.00    +0.211 HD
ENDBRANCH  27  33
ENDBRANCH   8  27
TORSDOF 9