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ken2000e(½ð±Ò+10): 2010-07-23 10:51:03
Ñ©ÀǹԹÔ(½ð±Ò+5):лл 2010-07-23 23:38:29
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Originally posted by ken2000e at 2010-07-22 23:25:10:
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     2  C      0.996981D+00    0.379800D+01   -0.538067D+01
     3  NH1   -0.295344D+01    0.424441D-01    0.322636D+00
     4  CT3    0.600637D+01   -0.199041D+01   -0.201979D+01
     5  O     -0.743224D+01    0.639766D+01    0.138358D+01
     6  HA     0.173613D+01    0.367747D+01    0.180435D+02
     7  HA    -0.286980D+01    0.176521D+02    0.220348D+02
     8  HA    -0.116399D+01   -0.133408D+02    0.671972D+01
     9  H     -0.215998D+02    0.370360D+01   -0.551342D+00
    10  HA    -0.223319D+02    0.623712D+01    0.756902D+01
    11  HA     0.943981D+01   -0.629096D+01   -0.232701D+01
    12  HA    -0.134840D+02   -0.996478D+01    0.224331D+02

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[ Last edited by yzhhlq_1983 on 2010-7-23 at 10:22 ]
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ghcacj(½ð±Ò+2):лл 2010-07-22 11:01:45
ken2000e(½ð±Ò+10): 2010-07-22 12:14:13
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