REMARK  Name = BDB051153
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.971  -0.080   2.535  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        3.163   1.297   2.453  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        4.263   1.816   1.760  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        5.190   0.965   1.143  0.00  0.00    -0.042 A 
ATOM      5  C   LIG    1        4.988  -0.418   1.222  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        3.888  -0.931   1.914  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        1.944  -0.723   3.167  0.00  0.00    -0.490 OA
BRANCH   7   8
ATOM      8  C   LIG    1        0.998   0.050   3.914  0.00  0.00    +0.247 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -0.139   0.546   3.022  0.00  0.00    +0.145 C 
BRANCH   9  11
ATOM     10  C   LIG    1       -2.084  -0.371   1.823  0.00  0.00    +0.213 C 
ATOM     11  N   LIG    1       -0.834  -0.555   2.376  0.00  0.00    -0.312 N 
ATOM     12  H   LIG    1       -0.253  -1.295   1.999  0.00  0.00    +0.149 HD
ATOM     13  O   LIG    1       -2.741   0.652   1.974  0.00  0.00    -0.276 OA
BRANCH  10  14
ATOM     14  C   LIG    1       -2.566  -1.584   1.045  0.00  0.00    +0.096 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -3.880  -1.350   0.299  0.00  0.00    +0.009 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -3.690  -0.487  -0.953  0.00  0.00    +0.000 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -5.007  -0.149  -1.662  0.00  0.00    +0.000 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -5.716  -1.377  -2.240  0.00  0.00    -0.000 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -8.043  -0.337  -2.380  0.00  0.00    +0.004 C 
ATOM     20  C   LIG    1       -6.909  -1.019  -3.131  0.00  0.00    -0.003 C 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  10  14
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  21
ATOM     21  C   LIG    1        6.367   1.533   0.384  0.00  0.00    +0.083 C 
BRANCH  21  22
ATOM     22  C   LIG    1        6.150   1.583  -1.096  0.00  0.00    +0.058 A 
ATOM     23  C   LIG    1        6.666   0.796  -2.054  0.00  0.00    +0.204 A 
ATOM     24  N   LIG    1        6.294   1.126  -3.317  0.00  0.00    -0.287 N 
ATOM     25  H   LIG    1        6.609   0.611  -4.125  0.00  0.00    +0.172 HD
ATOM     26  C   LIG    1        5.462   2.206  -3.447  0.00  0.00    +0.291 A 
ATOM     27  O   LIG    1        5.011   2.673  -4.478  0.00  0.00    -0.260 OA
ATOM     28  S   LIG    1        5.149   2.835  -1.824  0.00  0.00    -0.028 S 
BRANCH  23  29
ATOM     29  O   LIG    1        7.497  -0.269  -1.932  0.00  0.00    -0.493 OA
ATOM     30  H   LIG    1        7.686  -0.418  -0.991  0.00  0.00    +0.294 HD
ENDBRANCH  23  29
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 13