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ÎÒÊÇ´ÓMSÖй¹½¨·Ö×ÓɸģÐÍ£¬export³Épdb¸ñʽÎļþ£¬ÔÚGviewת»»³ÉgjfÎļþ£¬ÓÃG03´ò¿ªºóÈçÏ£¬²»ÄܼÆË㣬ÇëÎÊÊÇʲôÔÒò£¬Ôõô½â¾ö? %chk=E:\8T.chk # hf/3-21g geom=connectivity 8t 0 1 Si(PDBName=Si4,ResName=MOL,ResNum=2) 12.45700000 8.69600000 6.33400000 Si(PDBName=Si5,ResName=MOL,ResNum=2) 11.43800000 9.40800000 9.17400000 Si(PDBName=Si6,ResName=MOL,ResNum=2) 13.74300000 8.77600000 11.08400000 Si(PDBName=Si11,ResName=MOL,ResNum=2) 11.42100000 12.54400000 9.12700000 O(PDBName=O16,ResName=MOL,ResNum=2) 11.95100000 8.73400000 7.83700000 O(PDBName=O17,ResName=MOL,ResNum=2) 12.31200000 8.87300000 10.38900000 O(PDBName=O26,ResName=MOL,ResNum=2) 11.54900000 10.98200000 9.05900000 O(PDBName=O33,ResName=MOL,ResNum=2) 9.93100000 9.10400000 9.47300000 Si(PDBName=Si1,ResName=MOL,ResNum=2) 8.45700000 8.82500000 8.88700000 Si(PDBName=Si2,ResName=MOL,ResNum=2) 6.15000000 9.39800000 10.85000000 O(PDBName=O13,ResName=MOL,ResNum=2) 7.46000000 8.88700000 10.11500000 O(PDBName=O27,ResName=MOL,ResNum=2) 8.33100000 7.41000000 8.16900000 O(PDBName=O28,ResName=MOL,ResNum=2) 8.18100000 9.98300000 7.84800000 Si(PDBName=Si4,ResName=MOL,ResNum=2) 7.56500000 11.20300000 7.04900000 Si(PDBName=Si10,ResName=MOL,ResNum=2) 7.59700000 6.50500000 7.09000000 H(PDBName=H,ResName=MOL,ResNum=2) 11.42300000 7.95800000 5.46300000 H(PDBName=H,ResName=MOL,ResNum=2) 13.80700000 7.95800000 6.26500000 H(PDBName=H,ResName=MOL,ResNum=2) 12.63100000 10.13600000 5.81500000 H(PDBName=H,ResName=MOL,ResNum=2) 14.71300000 8.02000000 10.15600000 H(PDBName=H,ResName=MOL,ResNum=2) 13.61600000 8.02000000 12.41900000 H(PDBName=H,ResName=MOL,ResNum=2) 14.28400000 10.19400000 11.34600000 H(PDBName=H,ResName=MOL,ResNum=2) 10.12400000 12.98400000 8.42400000 H(PDBName=H,ResName=MOL,ResNum=2) 12.63000000 13.18900000 8.42400000 H(PDBName=H,ResName=MOL,ResNum=2) 11.38500000 12.99200000 10.60000000 H(PDBName=H,ResName=MOL,ResNum=2) 6.13700000 8.87600000 12.29800000 H(PDBName=H,ResName=MOL,ResNum=2) 4.90700000 8.87600000 10.10500000 H(PDBName=H,ResName=MOL,ResNum=2) 6.13400000 10.93800000 10.85900000 H(PDBName=H,ResName=MOL,ResNum=2) 6.40800000 10.70400000 6.16300000 H(PDBName=H,ResName=MOL,ResNum=2) 8.65300000 11.83800000 6.16300000 H(PDBName=H,ResName=MOL,ResNum=2) 7.03500000 12.25300000 8.04300000 H(PDBName=H,ResName=MOL,ResNum=2) 6.55300000 5.61600000 7.79100000 H(PDBName=H,ResName=MOL,ResNum=2) 8.63200000 5.61600000 6.37600000 H(PDBName=H,ResName=MOL,ResNum=2) 6.89400000 7.40500000 6.05700000 1 16 1.0 17 1.0 5 2.0 18 1.0 2 5 2.0 6 2.0 7 2.0 8 2.0 3 20 1.0 6 2.0 19 1.0 21 1.0 4 22 1.0 23 1.0 7 2.0 24 1.0 5 6 7 8 9 2.0 9 11 2.0 12 2.0 13 2.0 10 11 2.0 25 1.0 26 1.0 27 1.0 11 12 15 2.0 13 14 2.0 14 28 1.0 30 1.0 29 1.0 15 31 1.0 33 1.0 32 1.0 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 |
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