REMARK  Name = BDB061420
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.184  -0.290   0.251  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -1.075  -1.272  -0.186  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -2.465  -1.051  -0.155  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1       -2.964   0.181   0.324  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1       -4.352   0.401   0.355  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1       -5.247  -0.578  -0.092  0.00  0.00    -0.023 A 
ATOM      7  C   LIG    1       -4.749  -1.797  -0.557  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -2.060   1.159   0.760  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1       -3.372  -2.030  -0.592  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -0.685   0.923   0.723  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -6.697  -0.374  -0.032  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -7.407   0.534  -0.715  0.00  0.00    +0.080 C 
ATOM     13  C   LIG    1       -6.923   1.542  -1.702  0.00  0.00    +0.258 C 
ATOM     14  O   LIG    1       -5.770   1.724  -2.053  0.00  0.00    -0.269 OA
ATOM     15  N   LIG    1       -7.977   2.264  -2.180  0.00  0.00    -0.243 N 
ATOM     16  H   LIG    1       -7.837   2.990  -2.863  0.00  0.00    +0.159 HD
ATOM     17  C   LIG    1       -9.220   1.974  -1.724  0.00  0.00    +0.283 C 
ATOM     18  O   LIG    1      -10.253   2.525  -2.061  0.00  0.00    -0.262 OA
ATOM     19  S   LIG    1       -9.131   0.670  -0.561  0.00  0.00    -0.026 S 
ENDBRANCH   6  11
BRANCH   1  20
ATOM     20  O   LIG    1        1.180  -0.389   0.268  0.00  0.00    -0.483 OA
BRANCH  20  21
ATOM     21  C   LIG    1        1.746  -1.609  -0.208  0.00  0.00    +0.324 C 
BRANCH  21  24
ATOM     22  N   LIG    1        3.773  -0.381   0.336  0.00  0.00    -0.283 N 
ATOM     23  H   LIG    1        3.062   0.306   0.571  0.00  0.00    +0.155 HD
ATOM     24  C   LIG    1        3.277  -1.582  -0.136  0.00  0.00    +0.255 C 
ATOM     25  O   LIG    1        3.931  -2.563  -0.481  0.00  0.00    -0.272 OA
BRANCH  22  30
ATOM     26  C   LIG    1        9.151   1.385   1.189  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1        7.748   0.896   0.986  0.00  0.00    -0.050 A 
ATOM     28  C   LIG    1        7.510  -0.385   0.477  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        6.202  -0.834   0.256  0.00  0.00    +0.023 A 
ATOM     30  C   LIG    1        5.114  -0.006   0.530  0.00  0.00    +0.034 A 
ATOM     31  C   LIG    1        5.353   1.281   1.025  0.00  0.00    +0.023 A 
ATOM     32  C   LIG    1        6.658   1.731   1.247  0.00  0.00    +0.005 A 
ENDBRANCH  22  30
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 5