📄 mmff94.prm
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angle 0 NC=O C CR4R 104.838 87.7981 -35.2132 0angle 0 NC=O C CR3R 109.262 81.4652 -32.6733 0angle 0 NC=O C PTET 104.822 73.0452 -29.2963 0angle 0 NC=O C Car 110.423 79.6660 -31.9517 0angle 0 NC=O C NC=C 108.536 90.9646 -36.4832 0angle 0 NC=O C CO2M 110.961 78.2267 -31.3744 0angle 0 NC=O C CNN+ 103.622 91.2525 -36.5987 0angle 0 F C F 106.081 117.8798 -47.2781 0angle 0 F C S 109.517 90.2450 -36.1946 0angle 0 F C CR4R 107.637 89.4533 -35.8771 0angle 0 F C PTET 97.532 89.5253 -35.9060 0angle 0 F C N+ 108.669 96.2901 -38.6191 0angle 0 F C OM 110.367 111.9786 -44.9113 0angle 0 F C Car 112.278 82.8325 -33.2217 0angle 0 F C CO2M 105.053 93.6274 -37.5512 0angle 0 F C NO3 100.991 111.5468 -44.7381 0angle 0 F C SO2M 106.569 93.7713 -37.6089 0angle 0 F C -P=C 114.378 63.6177 -25.5152 0angle 0 CL C CL 110.422 78.8744 -31.6342 0angle 0 CL C S 111.064 82.4727 -33.0774 0angle 0 CL C SO2 104.827 93.4834 -37.4934 0angle 0 CL C SI 108.971 67.0720 -26.9006 0angle 0 CL C CR4R 108.605 77.7949 -31.2012 0angle 0 CL C CR3R 108.028 78.9464 -31.6630 0angle 0 CL C PTET 106.118 71.1741 -28.5458 0angle 0 CL C Car 109.030 77.4351 -31.0569 0angle 0 CL C NPYL 110.359 82.7605 -33.1928 0angle 0 CL C NO3 101.430 97.3696 -39.0521 0angle 0 CL C C5A 109.474 77.0752 -30.9126 0angle 0 CL C C5B 108.338 78.6585 -31.5476 0angle 0 BR C BR 111.645 78.6585 -31.5476 0angle 0 BR C CR4R 106.534 78.0108 -31.2878 0angle 0 BR C CR3R 107.469 76.8593 -30.8260 0angle 0 BR C NO3 101.383 93.9152 -37.6666 0angle 0 I C CR4R 107.718 73.4770 -29.4694 0angle 0 S C S 111.896 82.5446 -33.1062 0angle 0 S C PTET 103.308 76.2117 -30.5662 0angle 0 S C N+ 107.318 87.9421 -35.2710 0angle 0 S C Car 110.959 75.6359 -30.3353 0angle 0 S C NC=C 111.005 82.6886 -33.1639 0angle 0 S C CO2M 100.981 90.8927 -36.4544 0angle 0 S C C5A 110.596 76.2836 -30.5951 0angle 0 S C C5B 110.703 76.2117 -30.5662 0angle 0 S C SO2M 105.029 92.7638 -37.2048 0angle 0 >SN C Car 110.049 76.6435 -30.7394 0angle 0 SO2 C CR4R 107.960 80.6735 -32.3558 0angle 0 SO2 C CR3R 101.125 92.3320 -37.0316 0angle 0 SO2 C Car 104.390 86.5747 -34.7226 0angle 0 SO2 C NO3 105.273 92.6198 -37.1471 0angle 0 SO2 C C5B 109.683 78.6585 -31.5476 0angle 0 SI C N+= 119.506 55.5575 -22.2825 0angle 0 CR4R C CR4R 99.084 88.4458 -35.4730 0angle 0 CR4R C Car 107.428 75.7079 -30.3642 0angle 0 CR4R C NO3 106.335 84.1279 -33.7412 0angle 0 CR3R C CR3R 111.226 71.2460 -28.5747 0angle 0 CR3R C PTET 107.293 63.6896 -25.5440 0angle 0 CR3R C N+ 112.940 75.2041 -30.1622 0angle 0 CR3R C Car 108.586 74.6284 -29.9313 0angle 0 CR3R C NO3 106.181 85.0634 -34.1164 0angle 0 PTET C PTET 127.138 39.6531 -15.9037 0angle 0 PTET C N+ 119.271 56.0613 -22.4845 0angle 0 PTET C Car 113.945 56.4211 -22.6288 0angle 0 PTET C NC=C 102.417 76.4276 -30.6528 0angle 0 PTET C NPD+ 110.234 65.9206 -26.4388 0angle 0 P C P 118.700 44.9786 -18.0396 0angle 0 N+ C N+ 109.167 87.5103 -35.0978 0angle 0 N+ C Car 111.275 77.3631 -31.0281 0angle 0 N+ C CO2M 112.238 75.4200 -30.2487 0angle 0 N+ C C5A 111.412 77.5070 -31.0858 0angle 0 N+ C SO2M 110.240 82.1848 -32.9619 0angle 0 Car C Car 111.315 70.9582 -28.4592 0angle 0 Car C NC=C 109.188 81.2493 -32.5867 0angle 0 Car C NC#N 111.478 77.2911 -30.9992 0angle 0 Car C NO3 102.800 90.6048 -36.3389 0angle 0 Car C CNN+ 112.047 70.5983 -28.3149 0angle 0 Car C C5B 102.239 84.5597 -33.9144 0angle 0 Car C N3OX 109.983 79.1622 -31.7496 0angle 0 Car C C5 110.638 72.3255 -29.0076 0angle 0 Car C N5+ 107.040 84.6316 -33.9433 0angle 0 NPYL C NPYL 108.547 90.6768 -36.3678 0angle 0 NC=C C NC=C 112.005 85.0634 -34.1164 0angle 0 NC=C C NCN+ 105.786 95.1386 -38.1573 0angle 0 NC=C C C5A 114.505 74.2686 -29.7869 0angle 0 NC=C C C5B 116.376 71.9657 -28.8633 0angle 0 CO2M C CO2M 105.400 77.8669 -31.2301 0angle 0 CO2M C C5A 107.112 76.3556 -30.6240 0angle 0 CO2M C N5+ 110.553 78.6585 -31.5476 0angle 0 NO3 C NO3 102.088 100.1043 -40.1489 0angle 0 * Csp2 * 119.400 0.0000 -0.0000 0angle 1 * Csp2 * 118.200 0.0000 -0.0000 0angle 2 * Csp2 * 120.800 0.0000 -0.0000 0angle 3 * Csp2 * 62.600 0.0000 -0.0000 0angle 6 * Csp2 * 60.500 0.0000 -0.0000 0angle 0 C Csp2 C 118.043 54.1182 -21.7052 0angle 0 C Csp2 Csp2 122.141 48.3609 -19.3961 0angle 1 C Csp2 Csp2 116.929 49.2245 -19.7425 0angle 1 C Csp2 C= 116.104 50.2320 -20.1466 0angle 0 C Csp2 Csp 125.045 59.5876 -23.8988 0angle 1 C Csp2 Csp 121.613 60.8830 -24.4184 0angle 0 C Csp2 HC 120.108 32.0967 -12.8730 0angle 0 C Csp2 O 115.518 83.4802 -33.4814 0angle 0 C Csp2 NC=O 116.707 73.0452 -29.2963 0angle 0 C Csp2 CL 115.343 70.7423 -28.3726 0angle 0 C Csp2 BR 115.395 69.3749 -27.8242 0angle 0 C Csp2 S 119.465 67.5758 -27.1026 0angle 0 C Csp2 >SN 121.868 63.5457 -25.4863 0angle 0 C Csp2 SO2 117.918 69.1590 -27.7376 0angle 0 C Csp2 CR4R 118.310 63.3298 -25.3997 0angle 0 C Csp2 CR3R 119.114 62.8260 -25.1977 0angle 0 C Csp2 CE4R 124.605 59.4437 -23.8411 0angle 1 C Csp2 Car 116.064 51.8873 -20.8104 0angle 0 C Csp2 NC=C 118.515 70.6703 -28.3438 0angle 0 C Csp2 NO3 109.921 80.6735 -32.3558 0angle 0 C Csp2 NGD+ 117.192 72.3975 -29.0365 0angle 1 C Csp2 C5A 127.945 55.2696 -22.1670 0angle 1 C Csp2 C5B 113.884 69.5188 -27.8820 0angle 1 C Csp2 N2OX 110.185 80.2417 -32.1826 0angle 1 Csp2 Csp2 Csp2 121.550 53.7584 -21.5609 0angle 2 Csp2 Csp2 Csp2 126.284 57.2847 -22.9752 0angle 6 Csp2 Csp2 Csp2 60.549 12.4501 -4.9934 0angle 1 Csp2 Csp2 C= 111.297 39.2213 -15.7305 0angle 2 Csp2 Csp2 C= 118.456 64.2654 -25.7749 0angle 5 Csp2 Csp2 C= 59.145 13.2417 -5.3108 0angle 1 Csp2 Csp2 Csp 121.053 64.9130 -26.0347 0angle 2 Csp2 Csp2 Csp 119.794 63.9775 -25.6595 0angle 0 Csp2 Csp2 HC 121.004 38.5016 -15.4419 0angle 1 Csp2 Csp2 HC 118.442 33.3201 -13.3637 0angle 0 Csp2 Csp2 O 121.267 80.3857 -32.2403 0angle 1 Csp2 Csp2 O 114.538 86.6467 -34.7514 0angle 1 Csp2 Csp2 N=C 123.536 69.0871 -27.7088 0angle 2 Csp2 Csp2 N=C 116.273 75.2041 -30.1622 0angle 0 Csp2 Csp2 NC=O 120.828 72.1816 -28.9499 0angle 1 Csp2 Csp2 NC=O 117.324 73.8368 -29.6138 0angle 0 Csp2 Csp2 F 119.100 78.3706 -31.4321 0angle 1 Csp2 Csp2 F 116.828 78.4426 -31.4610 0angle 0 Csp2 Csp2 CL 120.132 67.0000 -26.8717 0angle 1 Csp2 Csp2 CL 117.526 68.8712 -27.6222 0angle 0 Csp2 Csp2 BR 122.717 62.3942 -25.0245 0angle 0 Csp2 Csp2 I 122.584 58.8679 -23.6102 0angle 1 Csp2 Csp2 I 122.344 58.9399 -23.6390 0angle 0 Csp2 Csp2 S 121.553 67.0000 -26.8717 0angle 1 Csp2 Csp2 S 119.466 68.2954 -27.3913 0angle 0 Csp2 Csp2 >SN 117.167 70.3105 -28.1995 0angle 0 Csp2 Csp2 SO2 114.561 75.1322 -30.1333 0angle 0 Csp2 Csp2 SI 124.721 48.0731 -19.2807 0angle 0 Csp2 Csp2 CR4R 117.784 67.0000 -26.8717 0angle 0 Csp2 Csp2 CR3R 126.820 58.2202 -23.3504 0angle 3 Csp2 Csp2 CR3R 66.165 10.7229 -4.3006 0angle 0 Csp2 Csp2 PTET 123.830 50.3760 -20.2043 0angle 0 Csp2 Csp2 N+ 116.151 76.7154 -30.7683 0angle 0 Csp2 Csp2 OM 137.103 65.5607 -26.2945 0angle 1 Csp2 Csp2 Car 117.508 43.0355 -17.2603 0angle 2 Csp2 Csp2 Car 124.229 58.7960 -23.5813 0angle 1 Csp2 Csp2 NPYL 122.360 70.2385 -28.1706 0angle 0 Csp2 Csp2 NC=C 126.830 55.6295 -22.3113 0angle 1 Csp2 Csp2 NC=C 120.132 70.2385 -28.1706 0angle 0 Csp2 Csp2 CO2M 110.442 31.0892 -12.4689 0angle 0 Csp2 Csp2 NC#N 111.808 82.3287 -33.0196 0angle 0 Csp2 Csp2 NO3 109.231 85.9270 -34.4628 0angle 1 Csp2 Csp2 NO3 113.984 76.4276 -30.6528 0angle 0 Csp2 Csp2 N=O 121.534 72.3255 -29.0076 0angle 0 Csp2 Csp2 NCN+ 121.154 71.6059 -28.7190 0angle 0 Csp2 Csp2 NGD+ 108.879 88.8057 -35.6173 0angle 0 Csp2 Csp2 NM 135.269 58.1483 -23.3216 0angle 1 Csp2 Csp2 C5A 118.277 68.2235 -27.3624 0angle 1 Csp2 Csp2 C5B 123.528 62.3223 -24.9956 0angle 2 Csp2 Csp2 C5B 121.998 61.8185 -24.7936 0angle 1 Csp2 Csp2 N2OX 112.136 81.4652 -32.6733 0angle 0 Csp2 Csp2 SX 134.269 55.4136 -22.2247 0angle 1 Csp2 Csp2 N5+ 116.541 77.5790 -31.1146 0angle 2 C= Csp2 C= 120.370 61.3867 -24.6204 0angle 2 C= Csp2 Csp 119.739 63.1859 -25.3420 0angle 1 C= Csp2 HC 117.291 35.0473 -14.0564 0angle 1 C= Csp2 O 116.738 82.1848 -32.9619 0angle 2 C= Csp2 N=C 117.648 72.3255 -29.0076 0angle 1 C= Csp2 NC=O 115.698 74.7723 -29.9890 0angle 1 C= Csp2 F 112.876 82.7605 -33.1928 0angle 1 C= Csp2 CL 114.732 71.7498 -28.7767 0angle 1 C= Csp2 BR 116.643 68.0795 -27.3047 0angle 1 C= Csp2 I 117.111 64.1214 -25.7172 0angle 1 C= Csp2 S 114.635 73.6209 -29.5272 0angle 1 C= Csp2 CR4R 119.265 62.6101 -25.1111 0angle 1 C= Csp2 CR3R 123.510 58.7240 -23.5525 0angle 1 C= Csp2 CE4R 112.209 73.7648 -29.5849 0angle 1 C= Csp2 N+ 111.723 79.0903 -31.7208 0angle 1 C= Csp2 OM 118.767 82.1128 -32.9330 0angle 2 C= Csp2 Car 119.758 62.4662 -25.0534 0angle 1 C= Csp2 NC=C 116.408 73.6929 -29.5560 0angle 1 C= Csp2 CO2M 119.505 61.5307 -24.6781 0angle 1 C= Csp2 NC#N 114.257 75.2761 -30.1910 0angle 1 C= Csp2 NO3 112.401 77.5070 -31.0858 0angle 1 C= Csp2 N=O 114.841 76.7154 -30.7683 0angle 2 Csp Csp2 Csp 124.158 59.8754 -24.0143 0angle 0 Csp Csp2 HC 121.000 41.2363 -16.5387 0angle 1 Csp Csp2 HC 120.000 39.2213 -15.7305 0angle 2 Csp Csp2 N=C 120.845 70.0226 -28.0840 0angle 1 Csp Csp2 S 122.447 65.2009 -26.1502 0angle 1 Csp Csp2 SO2 119.537 68.1515 -27.3336 0angle 1 Csp Csp2 CE4R 126.938 58.9399 -23.6390 0angle 2 Csp Csp2 Car 121.093 62.1783 -24.9379 0angle 1 Csp Csp2 NC=C 114.355 77.9388 -31.2590 0angle 1 Csp Csp2 NO3 109.426 83.3363 -33.4237 0angle 2 Csp Csp2 C5A 122.442 61.8905 -24.8224 0angle 0 HC Csp2 HC 119.523 26.2675 -10.5351 0angle 0 HC Csp2 O 108.757 42.3878 -17.0005 0angle 1 HC Csp2 N=C 117.000 46.2739 -18.5591 0angle 0 HC Csp2 NC=O 114.859 48.0011 -19.2518 0angle 0 HC Csp2 F 108.186 57.2127 -22.9463 0angle 0 HC Csp2 CL 110.650 44.7627 -17.9530 0angle 0 HC Csp2 BR 113.513 40.7326 -16.3366 0angle 0 HC Csp2 S 119.562 39.2933 -15.7594 0angle 0 HC Csp2 >SN 124.000 35.4071 -14.2007 0angle 0 HC Csp2 SO2 119.053 39.4372 -15.8171 0angle 0 HC Csp2 CR3R 120.000 38.4297 -15.4130 0angle 0 HC Csp2 PTET 124.000 28.4264 -11.4010 0angle 0 HC Csp2 CE4R 120.000 41.1644 -16.5098 0angle 0 HC Csp2 OM 124.164 49.0806 -19.6848 0angle 1 HC Csp2 Car 117.423 35.3351 -14.1719 0angle 1 HC Csp2 NPYL 115.724 47.1375 -18.9055 0angle 0 HC Csp2 NC=C 112.322 40.8765 -16.3944 0angle 0 HC Csp2 CO2M 123.706 21.1579 -8.4858 0angle 0 HC Csp2 NO3 107.774 52.3910 -21.0125 0angle 0 HC Csp2 NCN+ 116.000 46.8497 -18.7900 0angle 0 HC Csp2 NM 125.344 40.8765 -16.3944 0angle 1 HC Csp2 C5A 120.000 39.5811 -15.8748 0angle 1 HC Csp2 C5B 120.000 39.2933 -15.7594 0angle 0 HC Csp2 SX 122.009 38.2138 -15.3264 0angle 1 HC Csp2 N5+ 115.000 47.8572 -19.1941 0angle 1 O Csp2 N=C 120.520 87.3663 -35.0401 0angle 0 O Csp2 NC=O 115.921 94.3470 -37.8398 0angle 0 O Csp2 CR3R 120.560 77.7229 -31.1724 0angle 0 O Csp2 OM 132.391 84.3438 -33.8278 0angle 1 O Csp2 Car 114.441 86.2149 -34.5782 0angle 0 O Csp2 NC=C 119.073 89.1655 -35.7616 0angle 0 O Csp2 NO3 102.438 117.8078 -47.2492 0angle 1 N=C Csp2 NC=O 119.802 79.0183 -31.6919 0angle 1 N=C Csp2 S 127.574 65.8486 -26.4099 0angle 2 N=C Csp2 Car 119.536 70.5983 -28.3149 0angle 1 N=C Csp2 NC=C 130.521 66.3524 -26.6120 0angle 0 NC=O Csp2 CL 112.723 82.3287 -33.0196 0angle 0 NC=O Csp2 S 117.519 77.5790 -31.1146 0angle 0 NC=O Csp2 PTET 100.818 82.3287 -33.0196 0angle 1 NC=O Csp2 Car 117.139 73.4770 -29.4694 0angle 0 NC=O Csp2 NC=C 126.034 71.1021 -28.5169 0angle 0 NC=O Csp2 CO2M 120.000 68.4394 -27.4490 0angle 0 CL Csp2 CL 119.105 72.8293 -29.2097 0angle 0 CL Csp2 >SN 114.206 79.8819 -32.0383 0angle 0 CL Csp2 SO2 110.553 86.4308 -34.6648 0angle 0 CL Csp2 SI 126.646 50.6638 -20.3198 0angle 0 CL Csp2 CR4R 120.563 64.9850 -26.0636 0angle 0 CL Csp2 CE4R 122.753 64.1934 -25.7461 0angle 1 CL Csp2 Car 116.136 70.2385 -28.1706 0angle 0 CL Csp2 NO3 115.543 77.4351 -31.0569 0angle 0 BR Csp2 SO2 113.616 81.4652 -32.6733 0angle 0 S Csp2 S 123.027 71.6778 -28.7479 0angle 0 S Csp2 OM 133.654 68.3674 -27.4201 0angle 1 S Csp2 Car 115.757 72.4694 -29.0654 0angle 0 S Csp2 NC=C 128.924 64.4093 -25.8327 0angle 0 >SN Csp2 >SN 117.955 75.6359 -30.3353 0angle 1 SO2 Csp2 Car 106.608 85.1354 -34.1453 0angle 0 CR3R Csp2 CR3R 122.108 60.5231 -24.2740 0angle 3 CR3R Csp2 CR3R 58.963 12.9538 -5.1954 0angle 1 CR3R Csp2 Car 124.693 58.0043 -23.2638 0angle 1 CE4R Csp2 Car 123.816 61.0989 -24.5049 0angle 1 OM Csp2 Car 128.032 71.3180 -28.6035 0angle 0 NC=C Csp2 NC=C 128.436 68.2954 -27.3913 0angle 0 NC=C Csp2 NGD+ 120.987 77.1472 -30.9415 0angle 1 NC=C Csp2 C5A 124.268 66.3524 -26.6120 0angle 1 NC=C Csp2 C5B 121.881 68.7272 -27.5645 0angle 0 NC=C Csp2 SX 135.317 59.0119 -23.6679 0angle 0 NO3 Csp2 NO3 108.095 92.4039 -37.0605 0angle 2 C5B Csp2 C5B 120.342 63.9055 -25.6306 0angle 0 * C= * 117.300 0.0000 -0.0000 0angle 1 * C= * 115.800 0.0000 -0.0000 0angle 4 * C= * 90.800 0.0000 -0.0000 0angle 7 * C= * 91.100 0.0000 -0.0000 0angle 8 * C= * 88.900 0.0000 -0.0000 0angle 0 C C= C 118.016 82.8325 -33.2217 0angle 1 C C= Csp2 116.853 79.5940 -31.9228 0angle 1 C C= C= 114.612 87.3663 -35.0401 0angle 0 C C= HC 117.280 58.1483 -23.3216 0angle 0 C C= O 109.716 75.⌨️ 快捷键说明
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