REMARK  Name = BDB061555
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.050   0.437   0.346  0.00  0.00    +0.094 A 
ATOM      2  C   LIG    1       -0.524   1.629  -0.176  0.00  0.00    +0.110 A 
ATOM      3  C   LIG    1       -1.744   2.053   0.322  0.00  0.00    +0.127 A 
ATOM      4  N   LIG    1       -2.461   1.346   1.222  0.00  0.00    -0.214 NA
ATOM      5  C   LIG    1       -1.927   0.202   1.659  0.00  0.00    +0.190 A 
ATOM      6  N   LIG    1       -0.731  -0.263   1.284  0.00  0.00    -0.221 NA
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        3.387  -1.133   0.563  0.00  0.00    +0.166 A 
ATOM      8  C   LIG    1        3.601  -1.482  -0.780  0.00  0.00    +0.204 A 
ATOM      9  C   LIG    1        2.630  -1.231  -1.763  0.00  0.00    +0.166 A 
ATOM     10  C   LIG    1        1.439  -0.603  -1.390  0.00  0.00    +0.059 A 
ATOM     11  C   LIG    1        1.211  -0.210  -0.057  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        2.195  -0.493   0.909  0.00  0.00    +0.059 A 
BRANCH   7  14
ATOM     13  C   LIG    1        4.153  -1.219   2.822  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        4.392  -1.447   1.440  0.00  0.00    -0.491 OA
ENDBRANCH   7  14
BRANCH   8  15
ATOM     15  O   LIG    1        4.755  -2.149  -1.129  0.00  0.00    -0.488 OA
ATOM     16  C   LIG    1        5.765  -1.210  -1.494  0.00  0.00    +0.277 C 
ENDBRANCH   8  15
BRANCH   9  17
ATOM     17  O   LIG    1        2.931  -1.645  -3.035  0.00  0.00    -0.491 OA
ATOM     18  C   LIG    1        2.051  -1.256  -4.080  0.00  0.00    +0.277 C 
ENDBRANCH   9  17
ENDBRANCH   1  11
BRANCH   2  19
ATOM     19  C   LIG    1        0.199   2.369  -1.158  0.00  0.00    +0.104 C 
ATOM     20  N   LIG    1        0.767   2.946  -1.990  0.00  0.00    -0.191 NA
ENDBRANCH   2  19
BRANCH   3  21
ATOM     21  S   LIG    1       -2.527   3.579  -0.186  0.00  0.00    -0.027 S 
BRANCH  21  22
ATOM     22  C   LIG    1       -1.766   4.618   0.964  0.00  0.00    +0.215 A 
ATOM     23  N   LIG    1       -2.308   5.787   1.410  0.00  0.00    -0.223 N 
ATOM     24  C   LIG    1       -3.563   6.403   1.086  0.00  0.00    +0.177 C 
ATOM     25  N   LIG    1       -1.464   6.364   2.284  0.00  0.00    -0.043 NA
ATOM     26  N   LIG    1       -0.423   5.545   2.356  0.00  0.00    -0.022 NA
ATOM     27  N   LIG    1       -0.595   4.454   1.537  0.00  0.00    -0.101 NA
ENDBRANCH  21  22
ENDBRANCH   3  21
BRANCH   5  28
ATOM     28  S   LIG    1       -2.884  -0.739   2.811  0.00  0.00    -0.081 S 
BRANCH  28  29
ATOM     29  C   LIG    1       -2.479  -2.424   2.253  0.00  0.00    +0.112 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -2.895  -2.722   0.831  0.00  0.00    -0.037 A 
ATOM     31  C   LIG    1       -1.926  -3.011  -0.142  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -2.300  -3.287  -1.458  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -3.646  -3.281  -1.816  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -4.619  -3.002  -0.858  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -4.248  -2.727   0.459  0.00  0.00    +0.004 A 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 10