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haru007

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zhaoyangqufu

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waiy2001(½ð±Ò+1,VIP+0): 4-10 12:17
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xxiaojjie

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4Â¥2009-04-10 12:46:31
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haru007

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Hydrogen bonds with  H..A < r(A) + 2.000 Angstroms  and   110 deg.

D-H           d(D-H)   d(H..A)   
N3-H3B         0.755    2.311   162.99    3.041    O9 [ x-1, y-1, z ]
N3-H3B         0.755    2.567   131.76    3.121    O14 [ x-1, y-1, z ]
N4-H4E         0.788    2.214   162.13    2.974    O14 [ x-1, y-1, z ]

È»ºóÔÚinsÖмÓ
EQIV $1 x-1, y-1, z
HTAB N3 O9_$1
HTAB N3 O14_$1
HTAB N4 O14_$1
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Specified hydrogen bonds (with esds except fixed and riding H)

  D-H          H...A        D...A        <(DHA)

** No suitable H-bond found for N3...O9_$1 = 3.041(3) A **
** No suitable H-bond found for N3...O14_$1 = 3.121(3) A **
  0.79(4)      2.21(4)      2.974(3)     162(4)       N4-H4E...O14_$1

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5Â¥2009-04-10 13:55:05
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xi2004

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Èç¹û²»ÊÇ, ÊÔ×ÅÈ¥µô HTAB N3 O14_$1
xi2004-emuch@163.com
6Â¥2009-04-10 16:05:26
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haru007

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[ Last edited by haru007 on 2009-4-12 at 14:21 ]
7Â¥2009-04-10 18:59:24
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huahua1216

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waiy2001(½ð±Ò+1,VIP+0):лл 4-11 17:44
ÒýÓûØÌû:
Originally posted by haru007 at 2009-4-10 13:55:
EQIV $1 x-1, y-1, z
HTAB N3 O9_$1
HTAB N3 O14_$1
HTAB N4 O14_$1

ϵͳ±¾Éí¾ÍÖ¸ÈÏÁËһЩ$  ËùÒÔ×îºÃ²»ÒªËæÒâµÄeqiv
8Â¥2009-04-10 20:12:57
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xi2004

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Originally posted by haru007 at 2009-4-10 18:59:
H3Bû±»ÐÞ·É

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xi2004-emuch@163.com
10Â¥2009-04-12 09:22:52
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