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rainxin2008新蟲(chóng) (小有名氣)
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[求助]
誰(shuí)會(huì)用MS建立冠醚的分子結(jié)構(gòu)? 已有1人參與
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| 誰(shuí)會(huì)用MS建立冠醚的分子結(jié)構(gòu)?15-冠-5和18-冠-6。建好將PDF文件貼出來(lái),重謝! |
鐵桿木蟲(chóng) (著名寫(xiě)手)
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新蟲(chóng) (小有名氣)
鐵桿木蟲(chóng) (著名寫(xiě)手)
** *_** ___ ***_ * _*

新蟲(chóng) (小有名氣)
鐵桿木蟲(chóng) (著名寫(xiě)手)
** *_** ___ ***_ * _*

新蟲(chóng) (小有名氣)
鐵桿木蟲(chóng) (著名寫(xiě)手)
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ATOM 1 O MOL 1 -1.255 1.042 0.172 1.00 0.00 O ATOM 2 O MOL 1 -0.541 -1.511 -0.168 1.00 0.00 O ATOM 3 O MOL 1 2.186 -1.248 0.266 1.00 0.00 O ATOM 4 O MOL 1 2.856 1.521 -0.070 1.00 0.00 O ATOM 5 O MOL 1 0.532 3.039 -0.222 1.00 0.00 O ATOM 6 C MOL 1 1.766 3.664 0.077 1.00 0.00 C ATOM 7 C MOL 1 2.741 2.681 0.728 1.00 0.00 C ATOM 8 C MOL 1 3.719 0.580 0.544 1.00 0.00 C ATOM 9 C MOL 1 2.913 -0.519 1.234 1.00 0.00 C ATOM 10 C MOL 1 1.465 -2.307 0.872 1.00 0.00 C ATOM 11 C MOL 1 0.003 -1.915 1.072 1.00 0.00 C ATOM 12 C MOL 1 -1.930 -1.258 -0.050 1.00 0.00 C ATOM 13 C MOL 1 -2.217 0.101 0.597 1.00 0.00 C ATOM 14 C MOL 1 -1.620 2.345 0.582 1.00 0.00 C ATOM 15 C MOL 1 -0.359 3.150 0.870 1.00 0.00 C ATOM 16 H MOL 1 1.654 4.572 0.715 1.00 0.00 H ATOM 17 H MOL 1 2.211 4.010 -0.879 1.00 0.00 H ATOM 18 H MOL 1 2.381 2.426 1.750 1.00 0.00 H ATOM 19 H MOL 1 3.728 3.190 0.815 1.00 0.00 H ATOM 20 H MOL 1 4.434 1.030 1.274 1.00 0.00 H ATOM 21 H MOL 1 4.343 0.114 -0.248 1.00 0.00 H ATOM 22 H MOL 1 2.226 -0.058 1.979 1.00 0.00 H ATOM 23 H MOL 1 3.635 -1.184 1.762 1.00 0.00 H ATOM 24 H MOL 1 1.896 -2.654 1.842 1.00 0.00 H ATOM 25 H MOL 1 1.501 -3.180 0.187 1.00 0.00 H ATOM 26 H MOL 1 -0.041 -1.086 1.812 1.00 0.00 H ATOM 27 H MOL 1 -0.536 -2.801 1.479 1.00 0.00 H ATOM 28 H MOL 1 -2.466 -2.071 0.491 1.00 0.00 H ATOM 29 H MOL 1 -2.351 -1.242 -1.078 1.00 0.00 H ATOM 30 H MOL 1 -2.174 -0.011 1.704 1.00 0.00 H ATOM 31 H MOL 1 -3.247 0.417 0.309 1.00 0.00 H ATOM 32 H MOL 1 -2.250 2.363 1.504 1.00 0.00 H ATOM 33 H MOL 1 -2.187 2.835 -0.239 1.00 0.00 H ATOM 34 H MOL 1 0.095 2.750 1.804 1.00 0.00 H ATOM 35 H MOL 1 -0.648 4.213 1.030 1.00 0.00 H TER 36 CONECT 1 13 14 CONECT 2 11 12 CONECT 3 9 10 CONECT 4 7 8 CONECT 5 6 15 CONECT 6 5 7 16 17 CONECT 7 6 4 18 19 CONECT 8 4 9 20 21 CONECT 9 8 3 22 23 CONECT 10 3 11 24 25 CONECT 11 10 2 26 27 CONECT 12 2 13 28 29 CONECT 13 12 1 30 31 CONECT 14 1 15 32 33 CONECT 15 14 5 34 35 CONECT 16 6 CONECT 17 6 CONECT 18 7 CONECT 19 7 CONECT 20 8 CONECT 21 8 CONECT 22 9 CONECT 23 9 CONECT 24 10 CONECT 25 10 CONECT 26 11 CONECT 27 11 CONECT 28 12 CONECT 29 12 CONECT 30 13 CONECT 31 13 CONECT 32 14 CONECT 33 14 CONECT 34 15 CONECT 35 15 END |

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