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医无止境木虫 (正式写手)
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[求助]
求防己诺林碱的笛卡尔坐标(XYZ格式)
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我的Gview是在虚拟机的win xp下装的,难用的很。分子稍微复杂一下就画不出来了。又不知道linux下有没有好的画图软件。 现在有一个分子,叫防己诺林碱(fangchinoline),老是画不正确,求热心人帮忙画一下。谢谢。2D分子结构式如下 fangchinoline.gif |
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医无止境: 金币+10, ★★★★★最佳答案, 非常感谢 2012-11-09 12:44:01
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医无止境: 金币+10, ★★★★★最佳答案, 非常感谢 2012-11-09 12:44:01
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%chk=F:\qq.chk # hf/3-21g geom=connectivity Title Card Required 0 1 C 0.00000000 0.00000000 0.00000000 C 0.00000000 0.00000000 1.51919648 C 1.18224955 0.00000000 2.27016495 C 2.52376081 0.05979834 1.59583630 C 2.45598496 -0.28468756 0.09845123 C -1.24427393 0.00816115 2.19421188 C 1.14367504 -0.01913401 3.67910529 H 2.91626154 1.09653276 1.71087754 H 2.35434234 -1.38334035 -0.03888224 C -0.08651713 -0.03503613 4.32575850 C -1.30161491 -0.01312958 3.59655764 H 2.07051282 -0.02370797 4.24205447 O -0.29941156 -0.07945943 5.69120146 C 0.83755708 0.19102924 6.54736136 H 1.26474520 1.17139204 6.31655688 H 0.37606486 0.18299771 7.54304518 H 1.57697042 -0.60912183 6.44902751 O -2.52758504 -0.05333460 4.22742008 O -2.34736599 0.12953105 1.35704146 N 1.32343000 0.48885421 -0.49614877 C 1.40822698 0.53028296 -1.98245810 H 1.52332621 -0.44905650 -2.46978015 H 0.50051439 1.00394864 -2.39339381 H 2.26312150 1.16706562 -2.26223857 H 3.25081134 -0.60663519 2.09836096 H 3.40250175 0.01726515 -0.39736960 H -0.75692010 0.76005836 -0.34776759 C -0.42829762 -1.41031992 -0.49812373 H -1.16591588 -1.84004954 0.22675630 H 0.43599381 -2.09898580 -0.46501323 H -2.42011552 0.20645694 5.18541539 C -3.56564364 -0.41502927 1.78379397 C -4.67550227 0.43218112 1.70736077 C -3.71003354 -1.77418976 2.13593053 C -5.93943073 -0.08334251 2.00903292 H -4.53590763 1.47230017 1.41413293 C -4.97083182 -2.27159176 2.48810301 C -7.18638531 0.76559512 1.85583614 C -6.07929904 -1.42196674 2.43035423 H -5.07735376 -3.31012598 2.78805252 C -7.45740222 -1.87303290 2.81599580 C -8.15539338 -0.76878752 3.63258074 H -8.04058529 -2.10908358 1.90154744 H -7.66202527 -0.69686082 4.63280324 O -2.58442251 -2.57569331 2.03447556 C -2.25628368 -3.31649849 3.24066043 H -1.28258225 -3.74902587 2.98422584 H -2.17376984 -2.62561691 4.08825800 H -3.00273166 -4.09261689 3.42017341 N -8.05502256 0.61518791 3.06628362 C -9.39984582 1.23300738 2.88638947 H -9.28546368 2.25921747 2.50183896 H -10.08303818 0.68480525 2.22193667 H -9.87557309 1.31885539 3.87841770 H -7.43066597 -2.80860234 3.40709659 H -9.20876031 -1.06258002 3.81811712 H -6.90130183 1.85327596 1.83428027 C -7.89325754 0.42735260 0.50563040 H -8.44602911 -0.52788019 0.60606450 H -8.66431485 1.19271657 0.29281351 C -6.90886341 0.34917508 -0.62487090 C -6.34753991 -0.89325405 -0.97182399 C -6.50401164 1.51022533 -1.30197429 C -5.35388611 -0.97591166 -1.94429401 H -6.67062670 -1.79812169 -0.45718363 C -5.50889731 1.45180690 -2.28012381 H -6.95153079 2.47099140 -1.05194305 C -4.93556098 0.20745417 -2.56563340 H -4.89466945 -1.92869309 -2.20090589 H -5.16680550 2.34323839 -2.80019860 O -3.94951189 0.21579775 -3.56335887 C -1.06384544 -1.38055781 -1.85601295 C -0.52328397 -2.11222315 -2.92886283 C -2.22817414 -0.62860023 -2.05858141 C -1.11833570 -2.08030101 -4.18748056 H 0.37000003 -2.71609580 -2.77831302 C -2.83036310 -0.59553786 -3.31942493 H -2.67090480 -0.07121531 -1.22726062 C -2.28337199 -1.31809697 -4.39996517 H -0.70369654 -2.64269061 -5.02296897 O -2.73289199 -1.37604534 -5.69893602 C -3.96937574 -0.68753784 -6.01529249 H -4.06937576 -0.88732262 -7.08756359 H -4.79618841 -1.11634473 -5.44178691 H -3.86717408 0.38424778 -5.80890704 1 2 1.0 20 1.0 27 1.0 28 1.0 2 3 1.5 6 1.5 3 4 1.0 7 1.5 4 5 1.0 8 1.0 25 1.0 5 9 1.0 20 1.0 26 1.0 6 11 1.5 19 1.0 7 10 1.5 12 1.0 8 9 10 11 1.5 13 1.0 11 18 1.0 12 13 14 1.0 14 15 1.0 16 1.0 17 1.0 15 16 17 18 31 1.0 19 32 1.0 20 21 1.0 21 22 1.0 23 1.0 24 1.0 22 23 24 25 26 27 28 29 1.0 30 1.0 72 1.0 29 30 31 32 33 1.5 34 1.5 33 35 1.5 36 1.0 34 37 1.5 45 1.0 35 38 1.0 39 1.5 36 37 39 1.5 40 1.0 38 50 1.0 57 1.0 58 1.0 39 41 1.0 40 41 42 1.0 43 1.0 55 1.0 42 44 1.0 50 1.0 56 1.0 43 44 45 46 1.0 46 47 1.0 48 1.0 49 1.0 47 48 49 50 51 1.0 51 52 1.0 53 1.0 54 1.0 52 53 54 55 56 57 58 59 1.0 60 1.0 61 1.0 59 60 61 62 1.5 63 1.5 62 64 1.5 65 1.0 63 66 1.5 67 1.0 64 68 1.5 69 1.0 65 66 68 1.5 70 1.0 67 68 71 1.0 69 70 71 77 1.0 72 73 1.5 74 1.5 73 75 1.5 76 1.0 74 77 1.5 78 1.0 75 79 1.5 80 1.0 76 77 79 1.5 78 79 81 1.0 80 81 82 1.0 82 83 1.0 84 1.0 85 1.0 83 84 85 |
2楼2012-11-09 08:29:06
医无止境
木虫 (正式写手)
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3楼2012-11-09 12:44:12













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