Version2.1
2020-12-17T07:53:27Z
10.1021/jm300687e
Gaussian16
RevisionB.01
PWARBURT
30-Nov-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE Cc1ccc(cc1)c2n[nH]c(=S)n2CC(=O)NCC3(CCCC3)c4ccc5c(c4)OCCO5 C10772830
RHF
6-31G(d)
(6D,7F)
Cc1ccc(cc1)c2n[nH]c(=S)n2CC(=O)NCC3(CCCC3)c4ccc5c(c4)OCCO5
C01[X(C25H28N4O3S1)]
177
C1
555
O=C(Cn1c(=S)[nH]nc1c1ccc(cc1)C)NCC1(CCCC1)c1ccc2c(c1)OCCO2
O=C(Cn1c(=S)[nH]nc1c1ccc(cc1)C)NCC1(CCCC1)c1ccc2c(c1)OCCO2
Cc1ccc(cc1)C2=NNC(=S)N2CC(=O)NCC3(CCCC3)c4ccc5OCCOc5c4
InChIKey=PTDNMTZLWGJKIZ-UHFFFAOYSA-N
InChI=1S/C25H28N4O3S/c1-17-4-6-18(7-5-17)23-27-28-24(33)29(23)15-22(30)26-16-25(10-2-3-11-25)19-8-9-20-21(14-19)32-13-12-31-20/h4-9,14H,2-3,10-13,15-16H2,1H3,(H,26,30)(H,28,33)
InChI=1/C25H28N4O3S/c1-17-4-6-18(7-5-17)23-27-28-24(33)29(23)15-22(30)26-16-25(10-2-3-11-25)19-8-9-20-21(14-19)32-13-12-31-20/h4-9,14H,2-3,10-13,15-16H2,1H3,(H,26,30)(H,28,33)/f/h26,28H
Cc1ccc(cc1)c2n[nH]c(=S)n2CC(=O)NCC3(CCCC3)c4ccc5c(c4)OCCO5
C01[X(C25H28N4O3S1)]
177
C01
555
O=C(Cn1c(=S)[nH]nc1c1ccc(cc1)C)NCC1(CCCC1)c1ccc2c(c1)OCCO2
O=C(CN1[C](S)[NH]N=C1[C]1[CH][CH][C]([CH][CH]1)C)NCC1(CCCC1)[C]1[CH][CH][C]2[C]([CH]1)OCCO2
C[C]1[CH][CH][C]([CH][CH]1)C2=NN[C](S)N2CC(=O)NCC3(CCCC3)[C]4[CH][CH][C]5OCCO[C]5[CH]4
InChIKey=ZJAKNSKYTDTIEX-UHFFFAOYSA-N
InChI=1S/C25H29N4O3S/c1-17-4-6-18(7-5-17)23-27-28-24(33)29(23)15-22(30)26-16-25(10-2-3-11-25)19-8-9-20-21(14-19)32-13-12-31-20/h4-9,14,28,33H,2-3,10-13,15-16H2,1H3,(H,26,30)
InChI=1/C25H29N4O3S/c1-17-4-6-18(7-5-17)23-27-28-24(33)29(23)15-22(30)26-16-25(10-2-3-11-25)19-8-9-20-21(14-19)32-13-12-31-20/h4-9,14,28,33H,2-3,10-13,15-16H2,1H3,(H,26,30)/f/h26H
3438.4782456427
-1802.9207715
1-A
22382.0062
123
432
555
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11.06651
-0.0699 2.9579 -4.3673
5.2751
|XX|YY|ZZ|XY|XZ|YZ|
-161.9861 -204.1731 -200.3496 5.6535 -5.2624 2.6691
|XX|YY|ZZ|XY|XZ|YZ|
26.8501 -15.3368 -11.5133 5.6535 -5.2624 2.6691
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-123.4185 33.9985 -22.3630 39.8037 -27.1360 -168.6288 -35.3475 -15.0643 4.0057 -42.1441
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-20273.2907 -5436.0405 -1778.2005 892.3726 118.9690 -99.0753 -53.5857 151.4009 22.5297 -4491.8719 -3862.1369 -1181.7684 109.2338 65.3087 41.6168
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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
7.0552 15.5661 16.7295 22.8550 31.9200 46.3204 55.8071 58.1558 64.1346 75.2026 78.1462 90.2255 97.2170 133.7410 168.1639 172.8277 191.0739 202.1245 217.8217 238.5147 244.4447 286.3970 290.3129 300.9790 307.4803 347.5354 352.5622 355.1139 360.8741 386.9692 405.4827 448.1198 456.2528 460.1462 473.0794 506.6948 513.7249 516.1955 521.7804 546.8605 563.7230 571.5299 595.0628 604.7335 625.2515 629.3546 653.9881 662.0938 688.5253 699.4770 714.9393 719.8021 752.4811 763.1250 786.4574 796.0141 803.0713 830.1489 830.5514 870.1422 889.5071 903.5853 916.9169 934.7701 936.6600 946.0676 965.9377 969.0776 973.8947 980.9375 995.3090 1007.3434 1030.6580 1038.4833 1050.2165 1056.8821 1080.5004 1087.3101 1095.8354 1098.4866 1104.8723 1118.9866 1124.6868 1137.2354 1145.5858 1173.9801 1179.5598 1181.0679 1188.1075 1204.0364 1207.9894 1213.2641 1217.0149 1227.3706 1230.7781 1247.7100 1260.4537 1288.7057 1309.1316 1313.4625 1317.9813 1327.2174 1328.4440 1342.5904 1362.7186 1374.1056 1374.7860 1393.0088 1393.4693 1397.7912 1407.2960 1425.4336 1430.4583 1439.2591 1454.3823 1459.9646 1469.5302 1486.7229 1494.1046 1502.7726 1514.9089 1525.7541 1540.0193 1557.9880 1565.3567 1566.9446 1572.5862 1580.6585 1589.4354 1623.0563 1633.1144 1637.1130 1641.1532 1641.4981 1652.9228 1654.3136 1658.1721 1670.0643 1680.6819 1686.8732 1695.7162 1698.4707 1723.8785 1760.4166 1781.6058 1812.8030 1824.5221 1837.7767 1951.2968 3201.9149 3205.0591 3205.0845 3220.0967 3224.7828 3227.1201 3233.9204 3240.0219 3253.1439 3256.7664 3261.7225 3270.7010 3285.2381 3285.9431 3286.5459 3306.3630 3307.0708 3316.5123 3340.0349 3360.5629 3365.8407 3387.4773 3394.4537 3395.0102 3402.2778 3407.6710 3866.9092 3928.5592
6.3704 5.7497 1.0394 5.1615 5.3273 5.1889 5.3264 4.6381 4.2480 4.3255 5.0697 4.9544 6.4136 4.0906 5.4870 4.2650 3.5364 3.9885 6.4118 3.1239 5.5160 4.7393 6.0007 4.2669 2.5656 3.3401 2.7222 4.5699 3.1198 3.2783 2.3744 4.6314 4.6836 3.0758 3.5774 3.8275 4.7637 3.4995 3.4840 3.2754 4.8483 2.3692 1.8320 2.1858 1.5631 2.2513 2.7468 4.0450 5.0349 6.4525 4.3402 2.5869 3.1592 5.2368 3.9830 4.0249 4.1963 5.3526 5.5962 5.2380 2.4348 4.2258 2.1118 1.7211 1.4442 1.8262 1.7980 1.2446 2.8120 2.1935 2.1243 1.7079 2.5328 2.6278 2.6259 2.7487 1.3339 2.5583 1.6869 1.4062 2.1635 2.1941 2.0418 1.3585 1.8659 1.5755 3.4725 2.8579 2.2710 1.9409 2.9165 2.8219 3.0938 3.5327 3.5917 2.1739 2.0175 1.9592 2.3342 2.3471 1.2803 1.9540 2.4424 2.2303 1.4697 1.3461 1.9102 1.9288 1.5659 1.4155 1.5215 1.3762 2.0977 1.4823 2.0436 1.5603 1.3083 1.3318 1.4119 1.5642 3.0927 1.3924 1.3848 2.7869 1.4806 1.2627 1.8471 2.2151 3.3746 1.1307 1.0615 1.0872 1.0909 1.0949 1.0946 1.1198 1.1311 1.1105 1.1767 2.9986 2.4955 2.3742 1.9425 5.5799 6.8865 6.5230 6.3481 7.5449 8.9787 1.0727 1.0438 1.0596 1.0722 1.0648 1.0639 1.0734 1.0720 1.0957 1.0931 1.0991 1.1047 1.0606 1.1010 1.1034 1.0986 1.1033 1.0958 1.1081 1.0906 1.0913 1.0903 1.0949 1.0911 1.0955 1.0941 1.0783 1.0837
0.0002 0.0008 0.0002 0.0016 0.0032 0.0066 0.0098 0.0092 0.0103 0.0144 0.0182 0.0238 0.0357 0.0431 0.0914 0.0751 0.0761 0.0960 0.1792 0.1047 0.1942 0.2290 0.2980 0.2277 0.1429 0.2377 0.1994 0.3395 0.2394 0.2892 0.2300 0.5480 0.5744 0.3837 0.4717 0.5790 0.7407 0.5494 0.5589 0.5771 0.9078 0.4560 0.3822 0.4710 0.3600 0.5254 0.6922 1.0447 1.4063 1.8601 1.3071 0.7897 1.0540 1.7968 1.4515 1.5026 1.5945 2.1733 2.2745 2.3366 1.1351 2.0328 1.0461 0.8861 0.7465 0.9630 0.9884 0.6886 1.5714 1.2436 1.2399 1.0211 1.5852 1.6697 1.7064 1.8090 0.9175 1.7820 1.1935 0.9998 1.5561 1.6186 1.5217 1.0352 1.4428 1.2794 2.8466 2.3488 1.8888 1.6578 2.5075 2.4474 2.6998 3.1355 3.2056 1.9940 1.8885 1.9171 2.3570 2.3857 1.3103 2.0279 2.5396 2.3686 1.6080 1.4975 2.1271 2.2052 1.7915 1.6295 1.7754 1.6475 2.5290 1.8091 2.5468 1.9595 1.6646 1.7343 1.8570 2.0812 4.1817 1.9098 1.9350 3.9856 2.1375 1.8267 2.6913 3.2607 5.0229 1.7550 1.6681 1.7167 1.7312 1.7382 1.7619 1.8056 1.8324 1.8248 1.9583 5.0273 4.2278 4.0354 3.4011 10.1884 12.8787 12.6300 12.4506 15.0137 20.1424 6.4798 6.3171 6.4129 6.5502 6.5238 6.5281 6.6139 6.6303 6.8321 6.8307 6.8896 6.9628 6.7446 7.0043 7.0222 7.0762 7.1092 7.1012 7.2831 7.2568 7.2840 7.3716 7.4330 7.4094 7.4712 7.4853 9.4998 9.8543
0.6505 0.6903 0.1257 0.7283 1.2782 1.0230 0.7610 0.4949 0.4617 0.0025 2.5290 10.3853 1.2483 2.7850 2.1043 0.7425 3.0279 1.9197 7.1878 0.8059 5.8319 4.7025 1.5383 3.5511 0.6145 4.1408 3.5926 10.7326 2.0025 1.8562 3.4461 5.7695 4.9650 0.4440 6.9849 13.1167 15.7218 1.5683 3.0495 0.5802 17.9375 20.1209 18.2282 48.0937 104.2459 32.4693 11.7512 2.2525 3.2919 4.2769 17.9742 2.2329 29.0377 4.3336 21.1176 6.8763 0.3111 6.4143 29.8399 1.5272 1.5786 6.5367 11.0091 34.8951 37.9286 11.6017 0.4403 8.0757 23.0044 4.1783 26.9983 21.4169 3.8698 18.9891 10.4594 7.3287 3.0391 8.0603 0.5341 1.6080 16.3157 2.9770 1.1321 10.0668 4.8464 7.1766 11.0323 13.7250 1.2851 1.0667 0.9271 89.9204 22.3416 45.1707 10.7182 8.9548 11.7591 15.1383 3.2381 123.4956 2.4660 1.8660 13.4091 14.7849 16.2429 22.7008 99.8420 35.2231 9.1381 131.6887 95.9705 7.6702 40.1248 22.8290 303.7647 74.3758 0.4764 1.9920 11.6605 11.3293 78.3940 1.0964 3.2277 43.4454 74.0234 3.5897 14.8258 63.9317 33.7749 28.1159 9.2134 9.8870 2.0014 1.3709 2.3982 8.3950 12.5568 3.2087 81.5571 465.2685 48.8875 214.9801 520.9968 7.6099 43.0888 13.7290 1.7073 92.9900 371.0132 22.8080 42.1726 35.0859 42.1168 15.3414 64.7936 27.2361 36.8070 52.2116 59.5246 28.1320 61.2305 7.0399 43.6195 21.4167 67.9792 40.5448 17.1461 2.9404 18.5866 18.0820 5.5834 6.9962 5.0488 8.9470 8.0312 54.5680 174.2964
2.8524 1.0466 0.6682 2.6511 1.5892 3.0149 0.5260 4.1153 0.6056 1.9061 1.8941 1.1016 1.8675 2.2998 0.8233 0.2255 1.6681 0.6336 1.9298 0.4521 2.8265 1.8735 5.0449 0.7775 2.0415 3.2771 0.6911 0.3751 0.4129 2.6248 2.7122 2.8205 2.8712 1.2232 2.2371 0.5102 1.4734 2.3153 1.4868 2.5283 0.8266 1.6643 0.8532 2.8211 1.0100 0.8130 2.4795 6.5410 2.6720 7.2048 0.3724 2.3031 3.6153 1.0376 4.7559 1.9003 0.3489 10.1996 14.7038 28.9737 4.0820 11.0371 3.6551 3.2319 0.9957 0.7420 5.7785 3.4311 6.2330 3.2225 3.0158 1.4397 3.0894 2.1948 2.0176 4.8508 0.6772 3.5050 7.3050 3.1489 9.1563 6.2295 2.4665 1.4974 4.1370 0.1996 12.1596 4.8817 1.8824 0.9148 3.1592 3.5961 5.9384 1.1921 9.4843 1.2455 4.0608 4.7284 2.5982 7.0945 7.6278 6.2731 4.9873 3.5535 10.5858 5.0476 26.1486 14.7794 11.1894 11.2481 7.9712 3.5587 1.9160 1.4196 22.6002 10.9335 3.0531 2.3119 2.9949 3.5133 40.7324 1.5569 5.1429 10.1101 2.9049 15.1865 7.0515 20.2475 4.1899 12.6067 18.2316 20.7609 17.1871 18.5281 4.2955 16.7564 7.6137 2.3872 9.3687 56.9962 4.1540 2.5448 11.5623 9.2401 16.0554 14.4261 32.7830 304.8256 14.3923 99.5597 176.0020 58.8253 169.8513 47.1133 24.5440 57.6484 59.7839 167.5698 119.0227 103.0742 65.7134 77.8587 45.9825 69.4297 180.1308 127.2290 41.3449 28.6565 101.7530 73.1627 49.5166 86.4120 52.9636 106.4459 115.8109 46.0286 88.3158
0.7435 0.7500 0.7450 0.7166 0.7462 0.7500 0.6743 0.6253 0.7014 0.6695 0.7393 0.7292 0.6622 0.7233 0.7189 0.4901 0.7419 0.5351 0.3769 0.7252 0.6865 0.6810 0.2526 0.2941 0.7145 0.2981 0.6291 0.7091 0.4356 0.5026 0.4014 0.5804 0.2497 0.3685 0.7181 0.7307 0.7449 0.4949 0.6792 0.7350 0.6127 0.5532 0.7498 0.4606 0.4680 0.7253 0.3544 0.3351 0.7146 0.7440 0.4506 0.4890 0.0329 0.5785 0.2825 0.6316 0.7263 0.0923 0.1977 0.1184 0.2300 0.0487 0.1832 0.7406 0.2241 0.2656 0.2181 0.6309 0.4598 0.0121 0.4681 0.7497 0.6215 0.3145 0.2492 0.2072 0.4442 0.1655 0.7450 0.4979 0.2283 0.6110 0.6346 0.7157 0.7127 0.6213 0.0725 0.7496 0.7028 0.5981 0.6793 0.7143 0.0682 0.5379 0.5146 0.6669 0.1036 0.7026 0.1797 0.4223 0.1438 0.2162 0.4395 0.7264 0.5793 0.3614 0.3702 0.3338 0.6342 0.2728 0.6172 0.6408 0.7037 0.7046 0.2158 0.2314 0.6501 0.7500 0.5213 0.3625 0.5212 0.6653 0.7289 0.6494 0.4548 0.4411 0.5546 0.4432 0.6864 0.4543 0.7394 0.6836 0.7485 0.6883 0.7239 0.7399 0.5147 0.7340 0.7267 0.2790 0.4441 0.4194 0.4607 0.4474 0.5291 0.5755 0.6013 0.3097 0.4005 0.2045 0.0226 0.5257 0.1279 0.2876 0.7175 0.6203 0.1524 0.1823 0.2249 0.7113 0.7240 0.1073 0.5410 0.7468 0.3150 0.5583 0.3793 0.7130 0.4236 0.3842 0.6309 0.2033 0.2735 0.2000 0.1530 0.1715 0.2818
0.8529 0.8571 0.8539 0.8349 0.8546 0.8571 0.8055 0.7695 0.8245 0.8021 0.8501 0.8434 0.7967 0.8395 0.8365 0.6578 0.8519 0.6972 0.5474 0.8407 0.8141 0.8102 0.4033 0.4545 0.8335 0.4593 0.7723 0.8298 0.6068 0.6690 0.5729 0.7345 0.3997 0.5385 0.8359 0.8444 0.8538 0.6621 0.8089 0.8473 0.7598 0.7123 0.8570 0.6307 0.6376 0.8408 0.5233 0.5020 0.8336 0.8532 0.6213 0.6568 0.0637 0.7330 0.4405 0.7742 0.8414 0.1691 0.3301 0.2117 0.3739 0.0929 0.3097 0.8510 0.3662 0.4198 0.3582 0.7737 0.6299 0.0239 0.6377 0.8569 0.7666 0.4786 0.3990 0.3432 0.6152 0.2840 0.8538 0.6648 0.3717 0.7585 0.7765 0.8343 0.8322 0.7664 0.1353 0.8569 0.8255 0.7485 0.8090 0.8333 0.1277 0.6995 0.6795 0.8001 0.1877 0.8253 0.3046 0.5939 0.2515 0.3556 0.6106 0.8415 0.7336 0.5309 0.5404 0.5006 0.7762 0.4287 0.7633 0.7811 0.8261 0.8267 0.3550 0.3758 0.7879 0.8571 0.6853 0.5321 0.6853 0.7990 0.8432 0.7874 0.6253 0.6122 0.7135 0.6142 0.8140 0.6247 0.8502 0.8121 0.8562 0.8153 0.8398 0.8505 0.6796 0.8466 0.8417 0.4363 0.6150 0.5910 0.6308 0.6182 0.6921 0.7305 0.7510 0.4730 0.5720 0.3395 0.0442 0.6891 0.2268 0.4468 0.8355 0.7657 0.2644 0.3084 0.3671 0.8313 0.8399 0.1938 0.7021 0.8550 0.4791 0.7166 0.5500 0.8325 0.5951 0.5551 0.7737 0.3379 0.4295 0.3334 0.2655 0.2928 0.4397
298.150
1.00000
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61
6 6 6 6 6 6 6 6 7 7 1 6 16 7 6 6 8 7 6 6 6 6 6 6 6 6 6 6 6 6 8 6 6 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 14.00307 1.00783 12.00000 31.97207 14.00307 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 15.99491 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783
9108.7857 33571.0296 38474.8461
0.99998 0.00490 -0.00464 -0.00485 0.99994 0.00996 0.00469 -0.00993 0.99994
1
0.00951 0.00258 0.00225
0.19813 0.05376 0.04691
10.15 22.40 24.07 32.88 45.93 66.64 80.29 83.67 92.28 108.20 112.43 129.81 139.87 192.42 241.95 248.66 274.91 290.81 313.40 343.17 351.70 412.06 417.70 433.04 442.40 500.03 507.26 510.93 519.22 556.76 583.40 644.74 656.45 662.05 680.66 729.02 739.14 742.69 750.73 786.81 811.07 822.30 856.16 870.08 899.60 905.50 940.94 952.61 990.63 1006.39 1028.64 1035.63 1082.65 1097.97 1131.54 1145.29 1155.44 1194.40 1194.98 1251.94 1279.80 1300.06 1319.24 1344.93 1347.64 1361.18 1389.77 1394.29 1401.22 1411.35 1432.03 1449.34 1482.89 1494.15 1511.03 1520.62 1554.60 1564.40 1576.66 1580.48 1589.66 1609.97 1618.17 1636.23 1648.24 1689.10 1697.12 1699.29 1709.42 1732.34 1738.03 1745.62 1751.01 1765.91 1770.82 1795.18 1813.51 1854.16 1883.55 1889.78 1896.28 1909.57 1911.33 1931.69 1960.65 1977.03 1978.01 2004.23 2004.89 2011.11 2024.79 2050.88 2058.11 2070.77 2092.53 2100.56 2114.33 2139.06 2149.68 2162.15 2179.62 2195.22 2215.74 2241.60 2252.20 2254.48 2262.60 2274.22 2286.84 2335.22 2349.69 2355.44 2361.25 2361.75 2378.19 2380.19 2385.74 2402.85 2418.13 2427.03 2439.76 2443.72 2480.28 2532.85 2563.33 2608.22 2625.08 2644.15 2807.48 4606.84 4611.37 4611.40 4633.00 4639.74 4643.11 4652.89 4661.67 4680.55 4685.76 4692.89 4705.81 4726.72 4727.74 4728.61 4757.12 4758.14 4771.72 4805.57 4835.10 4842.69 4873.82 4883.86 4884.66 4895.12 4902.88 5563.62 5652.32
0.542558
0.570242
0.571186
0.478008
-1802.378214
-1802.350529
-1802.349585
-1802.442764
3.125239D-04
MUNgauss
RevisionA2.0
retrievium
17-Dec-2020
DUDE Cc1ccc(cc1)c2n[nH]c(=S)n2CC(=O)NCC3(CCCC3)c4ccc5c(c4)OCCO5 C10772830
RHF
6-31G(d)
(6D,10F)
C1
464.188213
|X|Y|Z|
63.270412 36.686984 130.510156
67.161285
30
|36.858105|
|12.613491|36.858105|
|7.555022|13.683820|36.858105|
|5.017826|7.894271|13.796890|36.858105|
|4.421432|6.807405|7.924477|13.690079|36.858105|
|5.006186|7.879253|6.882815|7.937833|13.714306|36.858105|
|7.542905|13.720093|7.981243|6.900310|7.933553|13.750272|36.858105|
|3.292581|4.455529|5.087333|7.712592|12.889734|7.601796|5.054032|36.858105|
|2.906832|3.756644|4.396482|6.346123|7.841789|5.356324|4.024524|14.927865|53.358707|
|2.446393|3.031263|3.408819|4.504791|5.407209|4.212157|3.276079|9.136036|19.114058|53.358707|
|2.214134|2.676783|3.001208|3.816712|4.318273|3.503246|2.841269|6.296617|12.636335|26.096071|0.500000|
|2.402469|2.964885|3.228033|4.153039|5.225456|4.310073|3.298379|8.606758|11.551760|19.585041|0.256274|36.858105|
|2.014697|2.390546|2.540202|3.070557|3.635158|3.243951|2.634188|4.930995|6.682894|9.565211|0.177171|11.316778|388.023441|
|2.836845|3.642024|3.928292|5.233718|7.478727|5.977168|4.211660|13.781724|11.867954|12.322505|0.172231|14.026389|49.415143|53.358707|
|2.812987|3.529799|3.611681|4.436976|6.018125|5.697713|4.195265|7.450961|7.222237|7.405486|0.119450|7.731222|42.461677|17.923087|36.858105|
|2.605276|3.167739|3.085085|3.582915|4.750825|5.101864|3.897096|5.460281|5.824726|6.057188|0.103100|5.930156|37.689297|10.537298|12.461849|36.858105|
|2.739496|3.347377|3.173930|3.636846|4.938454|5.729010|4.287340|5.434674|5.873086|5.846014|0.100547|5.254744|31.868933|9.103373|8.021830|15.849671|73.516695|
|2.267807|2.655946|2.584379|2.912270|3.605123|3.820829|3.152138|4.030444|4.600361|4.922242|0.087627|4.702973|34.800409|7.311102|7.859065|14.187445|15.033474|53.358707|
|2.050294|2.340417|2.244320|2.466302|2.974905|3.219580|2.762487|3.238038|3.854145|4.100624|0.075421|3.690416|28.006631|5.426649|5.015600|7.813520|12.120215|17.842112|36.858105|
|1.854124|2.067011|1.982364|2.137647|2.489232|2.668177|2.379636|2.648038|3.206131|3.392585|0.063529|2.973139|23.040826|4.301234|3.906012|5.114622|8.000946|10.426331|12.384116|36.858105|
|1.696361|1.860304|1.771896|1.884987|2.165229|2.336557|2.127885|2.275027|2.811350|2.951945|0.056166|2.502734|19.182725|3.562608|3.059465|3.882187|6.611747|6.785333|7.606157|12.188961|36.858105|
|1.757311|1.900927|1.778938|1.858796|2.120767|2.340189|2.183256|2.163472|2.653347|2.721347|0.051608|2.267060|16.722938|3.303657|2.837703|3.534154|6.214935|5.795412|5.799604|7.717405|12.441316|36.858105|
|1.821425|1.963917|1.837463|1.910626|2.163542|2.381156|2.240648|2.183832|2.648868|2.702003|0.050938|2.263894|16.620547|3.347938|2.955280|3.555255|5.990898|5.929661|5.326010|7.648397|7.970027|12.458043|36.858105|
|1.973769|2.176303|2.055154|2.175208|2.506617|2.740261|2.507414|2.569383|3.061901|3.151713|0.058639|2.717217|20.107501|4.075225|3.787667|4.691516|7.395679|8.664566|7.537706|12.148424|7.730140|7.911862|12.402005|36.858105|
|1.697110|1.888256|1.847965|2.007965|2.298991|2.381597|2.124247|2.494740|3.078368|3.332988|0.063202|2.939168|24.160497|4.091873|3.636658|4.348445|6.586823|8.512111|7.458900|12.393118|7.488402|5.116942|5.358887|7.342137|36.858105|
|1.650657|1.851736|1.841105|2.031399|2.328377|2.354075|2.068996|2.606158|3.274609|3.656521|0.070013|3.274965|28.970139|4.352665|3.737770|4.353600|6.538854|8.145410|6.511660|7.395607|5.463006|3.926960|3.902007|4.973398|13.676110|36.858105|
|1.511716|1.682715|1.691100|1.861402|2.089608|2.076770|1.846202|2.338155|2.997115|3.368251|0.065681|2.953059|26.655610|3.830600|3.174485|3.449499|5.285382|5.898111|4.426063|4.948198|4.093359|3.159884|3.197137|3.842040|7.862733|13.740092|36.858105|
|1.428083|1.570888|1.573944|1.710357|1.891523|1.888201|1.707950|2.071974|2.652847|2.923482|0.057122|2.507303|21.580056|3.318195|2.756663|2.933786|4.556569|4.911521|3.688785|4.381248|3.760476|3.020344|3.163737|3.680194|6.773900|7.931981|13.821509|36.858105|
|1.457083|1.592168|1.577570|1.695675|1.874823|1.901164|1.737556|2.013929|2.544351|2.749462|0.053229|2.346572|19.365341|3.197653|2.715400|2.931317|4.569447|4.989741|3.837662|4.986178|4.263356|3.470557|3.807193|4.391847|7.862055|6.909148|7.988598|13.704783|36.858105|
|1.579854|1.732690|1.697023|1.821115|2.041435|2.106607|1.918907|2.177924|2.708173|2.900651|0.055480|2.499628|20.213938|3.483647|3.043512|3.427785|5.307993|6.143253|4.971248|7.513155|5.880799|4.570675|5.197975|6.369418|13.674076|8.011036|6.925430|7.933747|13.801109|36.858105|
|1.365543|1.475270|1.460090|1.552934|1.693549|1.718449|1.593930|1.794147|2.276652|2.432259|0.047309|2.038280|16.428054|2.792713|2.342213|2.479697|3.933728|4.062401|3.093127|3.898939|3.531882|3.069070|3.433152|3.727183|5.226738|4.629607|5.236662|7.952175|14.026826|8.093414|73.516695|
|1.286296|1.386833|1.385120|1.474917|1.591694|1.595171|1.482390|1.692459|2.170815|2.328671|0.045670|1.933960|15.681671|2.616481|2.153598|2.222876|3.538492|3.540516|2.626528|3.120707|2.844962|2.511460|2.750977|2.984407|4.020507|3.889491|4.686842|7.069058|8.181644|5.310139|24.087633|36.858105|
|1.237891|1.339778|1.345317|1.441889|1.558642|1.551114|1.431891|1.678000|2.177855|2.365204|0.046832|1.959907|16.254227|2.598502|2.100118|2.174115|3.480085|3.437457|2.568849|2.966453|2.748140|2.367786|2.494099|2.708918|3.859527|4.043884|5.309645|8.196424|7.065334|4.683373|14.170479|12.582553|36.858105|
|1.319445|1.442792|1.455634|1.577465|1.720285|1.700708|1.549836|1.881177|2.442485|2.692769|0.053274|2.265996|19.424075|2.963451|2.399378|2.485103|3.919926|3.981715|2.939690|3.338479|2.988521|2.500420|2.606029|2.932739|4.568015|5.238990|8.058621|14.025937|7.942881|5.216951|12.067635|7.978753|13.561589|73.516695|
|17.532933|8.856490|6.434063|4.510356|3.974981|4.387075|6.107548|3.049258|3.654327|3.134588|0.058013|2.291612|13.863416|3.672793|2.735835|2.511367|4.595342|3.024066|2.002002|1.836333|1.672977|1.738985|1.827136|1.979789|1.689604|1.634057|1.502873|1.430419|1.466599|1.587275|2.457126|1.303623|1.246790|2.353425|0.500000|
|17.581895|8.838626|5.599059|4.181798|3.956216|4.726500|7.178367|3.037113|3.659205|3.127508|0.058005|2.274925|13.735020|3.634567|2.681770|2.564966|4.877656|3.057604|2.064985|1.869576|1.728823|1.811681|1.867100|1.998379|1.692318|1.634709|1.489743|1.408493|1.443970|1.574320|2.407406|1.269387|1.220831|2.306873|0.301924|0.500000|
|17.565935|8.842122|6.981936|4.676105|3.958030|4.222029|5.708769|3.044947|3.783260|3.180574|0.059497|2.253830|13.490098|3.541826|2.525519|2.337371|4.362340|2.789896|1.865945|1.693490|1.560314|1.606821|1.654890|1.783454|1.564760|1.533347|1.415131|1.338001|1.358022|1.461136|2.269009|1.209267|1.168968|2.212014|0.302178|0.301540|0.500000|
|7.008361|8.901526|17.704695|8.960786|5.645546|4.956155|5.660565|4.145696|5.163926|4.127798|0.076005|2.845330|16.339209|4.527842|3.074192|2.650718|4.796652|3.100967|2.001651|1.795433|1.616745|1.623514|1.679911|1.861621|1.691511|1.688285|1.568029|1.469892|1.471490|1.569334|2.439209|1.310305|1.273063|2.436786|0.175933|0.141613|0.205898|0.500000|
|4.093445|5.627987|8.930504|17.735818|8.915224|5.648881|4.967648|7.166501|9.223225|6.524074|0.114885|4.219989|22.192216|6.790873|4.085650|3.261238|5.760750|3.689379|2.301099|2.012850|1.777425|1.735692|1.782840|2.027450|1.924926|1.971490|1.830767|1.682792|1.653110|1.754564|2.696644|1.453564|1.428373|2.783406|0.105556|0.096294|0.110755|0.216216|0.500000|
|4.087173|5.624806|4.959034|5.643424|8.903973|17.737898|8.917776|6.987380|6.833647|5.736723|0.097344|4.514071|24.608292|8.556446|6.356548|6.425088|14.389693|6.161783|3.817070|3.040340|2.648808|2.647370|2.654658|3.085951|2.642484|2.598682|2.245184|2.019835|2.038765|2.292007|3.242096|1.675867|1.632399|3.196404|0.102001|0.112510|0.097549|0.107612|0.124136|0.500000|
|6.987244|8.916651|5.660232|4.965769|5.653025|8.958439|17.710478|4.114757|4.607953|3.907220|0.070239|2.932763|17.245736|4.959259|3.767434|3.717654|7.428187|4.197622|2.782243|2.415781|2.190670|2.294388|2.347870|2.581684|2.119760|2.035510|1.806550|1.679700|1.724898|1.920139|2.822132|1.466909|1.411838|2.701005|0.161072|0.218325|0.145701|0.124203|0.107767|0.216420|0.500000|
|3.243478|4.166849|4.186626|5.059897|6.916400|6.877959|5.048016|7.115187|6.670146|6.277161|0.103609|5.761081|32.111458|12.587929|17.634519|8.960568|12.323609|8.613953|4.392372|3.591940|2.866002|2.756967|2.933416|3.706160|3.282228|3.246536|2.802043|2.510693|2.526937|2.838065|3.955941|2.046099|1.966890|3.921269|0.088493|0.085035|0.079046|0.096774|0.123665|0.201773|0.123379|0.500000|
|2.519210|3.065547|3.186214|3.837395|4.757753|4.398378|3.483032|5.808249|6.246260|6.792356|0.113789|7.202275|46.643962|12.613926|17.653640|8.745760|10.414662|10.250759|4.797189|3.958873|3.035213|2.763402|2.930714|3.812320|3.915397|4.114253|3.559920|3.080929|2.996539|3.305834|4.553475|2.371094|2.307768|4.754123|0.069200|0.066480|0.063538|0.077639|0.102281|0.130345|0.088097|0.301512|0.500000|
|2.139137|2.490121|2.470131|2.797521|3.375857|3.436963|2.873836|3.840152|4.467233|4.901839|0.088029|4.773777|38.167978|7.084223|7.536317|9.505719|10.939008|26.036439|9.070618|7.067582|4.566476|3.826012|4.041374|5.892117|6.985509|7.114432|5.137412|4.183800|4.162536|5.027243|5.875058|2.893064|2.807551|5.921332|0.058742|0.058278|0.054089|0.061196|0.073740|0.108251|0.077121|0.165393|0.240954|0.500000|
|1.920248|2.189697|2.123923|2.350876|2.821542|2.990278|2.556267|3.149587|3.858712|4.206145|0.078541|3.770398|29.845416|5.260242|4.524976|6.650282|11.002789|12.396094|17.570184|8.751963|6.929358|4.994703|4.341753|5.468572|6.764157|6.919711|4.665996|3.715514|3.689857|4.546184|5.259090|2.553794|2.573141|5.307452|0.051740|0.053641|0.049067|0.052903|0.061616|0.097657|0.070968|0.107398|0.121036|0.205372|0.500000|
|2.169970|2.470263|2.319480|2.515169|3.055249|3.438164|2.976956|3.223240|3.806379|3.933442|0.072191|3.434572|24.635569|5.194191|4.693867|7.394496|13.538092|12.642012|17.646685|8.861820|7.114262|6.346058|5.498098|7.047773|5.478936|4.784172|3.550103|3.079564|3.241009|4.095753|4.836303|2.332449|2.267981|4.505299|0.058461|0.061504|0.054509|0.057099|0.064215|0.116404|0.085180|0.119656|0.118330|0.180728|0.305084|0.500000|
|1.558828|1.696843|1.628181|1.727989|1.957448|2.082983|1.912280|2.060522|2.576146|2.718919|0.052229|2.287960|17.816861|3.207716|2.715191|3.294385|5.548433|5.641148|5.640578|8.735848|17.575136|8.868784|6.864363|6.306222|7.492449|5.453894|4.313920|4.137992|4.852062|6.678165|7.169872|3.159993|3.055324|5.804507|0.042894|0.043980|0.040062|0.041607|0.045644|0.064489|0.054408|0.070816|0.076302|0.111159|0.150853|0.142352|0.500000|
|1.674628|1.843157|1.759587|1.880860|2.171054|2.338527|2.113844|2.303778|2.875537|3.037078|0.058095|2.561065|19.692533|3.594472|3.007888|3.872706|6.826187|6.508564|7.484313|8.618865|17.549652|8.658088|5.665441|5.674825|6.144655|5.189306|3.919974|3.472726|3.718305|4.744180|5.505961|2.580723|2.565644|5.012572|0.045492|0.047481|0.042980|0.044545|0.049332|0.074179|0.060347|0.077212|0.081722|0.119439|0.221094|0.201399|0.303703|0.500000|
|1.624346|1.737044|1.627456|1.688925|1.903027|2.087489|1.971917|1.934417|2.401304|2.458964|0.047048|2.019762|14.910758|2.911578|2.444995|2.954485|5.253603|4.683041|4.438181|5.562060|8.699698|17.559728|8.667254|5.630539|4.230083|3.390949|2.842003|2.769109|3.171640|3.992303|5.140994|2.387590|2.259494|4.163199|0.044677|0.046654|0.041521|0.041562|0.044006|0.064780|0.057677|0.066259|0.066387|0.087886|0.112749|0.132514|0.218980|0.197220|0.500000|
|1.889822|2.049875|1.895620|1.974705|2.275179|2.561666|2.391644|2.298300|2.799621|2.840350|0.053581|2.354620|16.973729|3.477749|2.976830|3.800008|6.971219|5.982944|5.993146|6.633101|8.777208|17.522137|8.821000|6.871756|4.404564|3.576251|2.882007|2.702034|3.008279|3.822089|4.743053|2.241872|2.133922|4.036568|0.051567|0.054577|0.047770|0.047724|0.050742|0.081829|0.070740|0.080938|0.078441|0.105374|0.142135|0.207204|0.174114|0.214897|0.302492|0.500000|
|1.669765|1.787988|1.688726|1.754309|1.960860|2.122917|2.007144|1.989343|2.440586|2.504489|0.047594|2.087744|15.552158|3.040544|2.644980|3.077553|5.137026|5.096974|4.423993|6.428767|6.934199|8.850927|17.520469|8.763227|5.267687|3.813495|3.238863|3.337171|4.192084|5.724735|6.954957|3.042183|2.699066|4.897417|0.046739|0.047325|0.042442|0.043260|0.045889|0.064742|0.057956|0.072623|0.074284|0.100622|0.105237|0.120942|0.196178|0.139298|0.216121|0.173960|0.500000|
|1.898570|2.023549|1.869484|1.917250|2.156009|2.404567|2.308928|2.132186|2.575949|2.589595|0.048740|2.144524|15.403231|3.211131|2.819452|3.320272|5.700646|5.263102|4.450037|5.569022|5.653700|8.663706|17.558598|8.688898|4.190222|3.248994|2.739941|2.722861|3.209255|4.122305|5.306168|2.461252|2.225131|4.094972|0.053173|0.054472|0.047662|0.047515|0.049375|0.073965|0.068162|0.079746|0.076720|0.099035|0.102287|0.133252|0.138639|0.124578|0.197551|0.214973|0.302686|0.500000|
|2.218723|2.470509|2.299719|2.429408|2.844610|3.194091|2.910155|2.864912|3.339652|3.380676|0.062082|2.919610|20.817804|4.534060|4.345490|5.558079|8.810971|9.804748|7.751274|8.750049|6.103867|6.649363|8.850875|17.570549|5.674559|4.329406|3.398540|3.188812|3.626864|4.826500|5.576980|2.614247|2.403356|4.644873|0.061697|0.062612|0.055017|0.057179|0.061964|0.101695|0.083970|0.121636|0.116830|0.170422|0.150001|0.225817|0.136070|0.138755|0.135884|0.187925|0.174851|0.221762|0.500000|
|1.933993|2.125808|2.028381|2.146573|2.439267|2.617072|2.407938|2.501440|2.986599|3.082245|0.057437|2.660811|19.864399|3.976290|3.718360|4.292528|6.563172|7.768761|5.882983|8.568121|5.780454|5.685013|8.678238|17.607176|7.217433|4.920824|3.980489|3.972888|4.937073|7.193398|7.543879|3.346188|2.932844|5.609146|0.054455|0.053886|0.048628|0.051378|0.056006|0.080011|0.068065|0.102085|0.108120|0.161140|0.126889|0.146704|0.146716|0.124842|0.125278|0.138446|0.218082|0.194972|0.305355|0.500000|
|1.715194|1.944017|1.938435|2.163600|2.517296|2.535093|2.189715|2.880916|3.633645|4.132490|0.078936|3.773008|34.573330|4.902521|4.132467|4.998015|7.512945|9.224716|7.380337|6.776505|5.178349|3.770359|3.603671|4.548352|8.843702|17.758923|9.035995|5.681418|4.975096|5.658043|6.529188|3.211058|3.374896|7.574641|0.046770|0.047170|0.044297|0.049077|0.058290|0.078680|0.059540|0.096420|0.123700|0.214848|0.250941|0.146538|0.135235|0.147387|0.090218|0.099245|0.094775|0.085034|0.116320|0.119919|0.500000|
|1.468393|1.637910|1.661270|1.840338|2.056611|2.015745|1.785594|2.333387|3.045014|3.483169|0.068921|3.035563|28.526918|3.811376|3.051822|3.241131|5.025333|5.282309|3.871773|4.037735|3.467156|2.751476|2.741549|3.227000|5.608242|8.884193|17.733657|9.005981|5.680235|4.980490|7.516859|4.063058|4.842336|13.158659|0.040416|0.040061|0.038401|0.042928|0.050742|0.060158|0.048216|0.074193|0.095013|0.125878|0.116845|0.088449|0.099842|0.095461|0.069624|0.071188|0.076442|0.066644|0.081868|0.091773|0.217759|0.500000|
|1.579602|1.716176|1.665613|1.766419|1.968754|2.055529|1.899358|2.061815|2.552606|2.691686|0.051402|2.289612|17.956922|3.243580|2.837136|3.187217|5.026980|5.556387|4.523847|6.930611|5.864187|5.010707|6.271836|7.074496|8.829863|5.654251|4.982736|5.683988|9.088830|17.743592|13.420692|4.895408|4.092781|7.539451|0.044289|0.043933|0.040470|0.042859|0.047019|0.061957|0.053290|0.075355|0.084152|0.121241|0.111659|0.109181|0.187044|0.125831|0.122739|0.112563|0.212823|0.135323|0.141858|0.233685|0.123465|0.108056|0.500000|
|1.218847|1.304280|1.299355|1.373715|1.473073|1.480905|1.388152|1.552976|1.996932|2.125828|0.041796|1.746346|13.943455|2.372177|1.938456|1.999093|3.221786|3.137070|2.342599|2.765115|2.591235|2.343599|2.566382|2.700451|3.397825|3.238852|3.742060|5.129362|5.936213|4.374451|16.890231|17.625395|8.829488|10.165920|0.034378|0.033481|0.031895|0.034278|0.037591|0.043066|0.038294|0.051660|0.058612|0.069969|0.063218|0.058808|0.080137|0.065479|0.062884|0.058183|0.079643|0.064661|0.066183|0.083380|0.076350|0.092608|0.118777|0.500000|
|1.327745|1.434399|1.439970|1.536433|1.651425|1.643850|1.526447|1.756835|2.248467|2.411819|0.047186|2.008100|16.260573|2.722337|2.248944|2.274130|3.584233|3.598893|2.592408|3.019464|2.675990|2.389647|2.651859|2.943586|3.844735|3.762044|4.501507|6.408647|6.988860|4.895606|16.545082|17.543405|8.889200|12.801873|0.037516|0.036219|0.034656|0.037897|0.042201|0.047682|0.041741|0.059545|0.069728|0.082821|0.069390|0.063916|0.080392|0.067576|0.062443|0.060027|0.080103|0.066707|0.072753|0.093362|0.087345|0.110284|0.125535|0.299828|0.500000|
|1.194880|1.289245|1.288783|1.376741|1.490445|1.492218|1.381174|1.599841|2.081140|2.253850|0.044734|1.856908|15.301684|2.463196|1.980700|2.081212|3.373293|3.284411|2.516579|2.926823|2.812342|2.411490|2.493769|2.642241|3.744106|3.875509|4.907246|7.013384|6.417163|4.507499|12.786511|8.887462|17.540862|16.545904|0.033341|0.032872|0.031373|0.033865|0.037778|0.043786|0.038007|0.051580|0.059614|0.073207|0.070710|0.062171|0.088770|0.073388|0.064834|0.059951|0.075577|0.061533|0.064785|0.077924|0.090746|0.124650|0.111247|0.213139|0.173958|0.500000|
|1.182746|1.276843|1.288557|1.379928|1.479899|1.463135|1.354840|1.592813|2.082311|2.261475|0.045050|1.856273|15.341673|2.447185|1.953077|1.992273|3.204782|3.089664|2.278528|2.562962|2.383575|2.089453|2.194064|2.372176|3.214430|3.407685|4.366167|5.938458|5.125117|3.737921|10.161039|8.832757|17.626021|16.892513|0.033122|0.032318|0.031147|0.034036|0.038180|0.042482|0.036995|0.050990|0.059604|0.069811|0.063578|0.056485|0.072406|0.062542|0.055633|0.052982|0.065319|0.055192|0.059508|0.071064|0.081841|0.117309|0.093157|0.209125|0.213240|0.299824|0.500000|
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