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Text File  |  1991-04-15  |  1KB  |  21 lines
  1.    19 converted from Cartesian.example
  2. O5* 1        -0.063          3.583          1.757    0         2
  3. C5* 2         0.132          3.309          0.359    0         3,1
  4. C4* 3         0.963          2.056          0.240    0         5,2, 4
  5. O4* 4         0.362          0.971          0.992    0         8,3
  6. C3* 5         1.174          1.510         -1.166     0        7,6,3
  7. O3* 6         2.352          0.713         -1.179     0       17,5
  8. C2* 7        -0.050          0.611         -1.213     0        5,8
  9. C1* 8         0.233         -0.130          0.084     0        7,9,4
  10. N1     9        -0.928         -0.951          0.520     0        8,16,10
  11. C2     10         -0.774         -2.158          1.155     0        9,11,12
  12. O2     11          0.362         -2.598          1.354     0       10
  13. N3     12         -1.855         -2.851          1.517     0       10,13
  14. C4     13        -3.081         -2.386          1.260     0       15,12,14
  15. N4     14       -4.170         -3.135          1.584     0       13
  16. C5     15       -3.279         -1.170          0.611     0       16,13
  17. C6     16      -2.155         -0.441          0.241     0        9,15
  18. P     17          3.411          0.674         -2.377     0       18,19,6
  19. O1P 18         2.824          0.847         -3.721     0       17
  20. O2P 19         4.538          1.545         -2.009     0       17
  21.