Version2.0
2020-07-31T03:36:32Z
10.1021/jm300687e
Gaussian16
RevisionB.01
SBUNGAY
07-Jul-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE COc1ccc(cc1)[C@@H]2CCCCCN2CN3C(=O)C4(CCCCC4)NC3=O C58160787
RHF
6-31G(d)
(6D,7F)
COc1ccc(cc1)[C@@H]2CCCCCN2CN3C(=O)C4(CCCCC4)NC3=O
C01[X(C22H31N3O3)]
171
C1
482
COc1ccc(cc1)[C@@H]1CCCCCN1CN1C(=O)NC2(C1=O)CCCCC2
COc1ccc(cc1)[C@@H]1CCCCCN1CN1C(=O)NC2(C1=O)CCCCC2
COc1ccc(cc1)[C@@H]2CCCCCN2CN3C(=O)NC4(CCCCC4)C3=O
InChIKey=QBJWZVKDMFOPFJ-IBGZPJMESA-N
InChI=1S/C22H31N3O3/c1-28-18-11-9-17(10-12-18)19-8-4-2-7-15-24(19)16-25-20(26)22(23-21(25)27)13-5-3-6-14-22/h9-12,19H,2-8,13-16H2,1H3,(H,23,27)/t19-/m0/s1
InChI=1/C22H31N3O3/c1-28-18-11-9-17(10-12-18)19-8-4-2-7-15-24(19)16-25-20(26)22(23-21(25)27)13-5-3-6-14-22/h9-12,19H,2-8,13-16H2,1H3,(H,23,27)/t19-/m0/s1/f/h23H
COc1ccc(cc1)[C@@H]2CCCCCN2CN3C(=O)C4(CCCCC4)NC3=O
C01[X(C22H31N3O3)]
171
C01
482
COc1ccc(cc1)[C@@H]1CCCCCN1CN1C(=O)NC2(C1=O)CCCCC2
CO[C]1[CH][CH][C]([CH][CH]1)[C@@H]1CCCCCN1CN1C(=O)NC2(C1=O)CCCCC2
CO[C]1[CH][CH][C]([CH][CH]1)[C@@H]2CCCCCN2CN3C(=O)NC4(CCCCC4)C3=O
InChIKey=QBJWZVKDMFOPFJ-IBGZPJMESA-N
InChI=1S/C22H31N3O3/c1-28-18-11-9-17(10-12-18)19-8-4-2-7-15-24(19)16-25-20(26)22(23-21(25)27)13-5-3-6-14-22/h9-12,19H,2-8,13-16H2,1H3,(H,23,27)/t19-/m0/s1
InChI=1/C22H31N3O3/c1-28-18-11-9-17(10-12-18)19-8-4-2-7-15-24(19)16-25-20(26)22(23-21(25)27)13-5-3-6-14-22/h9-12,19H,2-8,13-16H2,1H3,(H,23,27)/t19-/m0/s1/f/h23H
2865.9674105667
-1239.1305305
1-A
11013.2384
104
378
482
|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|
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0.14777 0.16151 0.18114 0.20572 0.22252 0.23690 0.24230 0.24397 0.24814 0.25727 0.26380 0.27112 0.27832 0.28209 0.28526 0.28960 0.29664 0.30321 0.30718 0.31195 0.31679 0.32236 0.32562 0.32810 0.32862 0.33059 0.33285 0.33827 0.34195 0.34569 0.34933 0.35177 0.35428 0.36555 0.36903 0.37224 0.38075 0.38799 0.39482 0.39811 0.40501 0.40783 0.41517 0.41715 0.42361 0.43936 0.44412 0.45476 0.45917 0.46545 0.46869 0.47282 0.48140 0.49816 0.50726 0.51180 0.51241 0.52971 0.53854 0.54590 0.55608 0.56781 0.59302 0.61075 0.66747 0.69288 0.70086 0.70885 0.71167 0.71751 0.72063 0.73440 0.73634 0.74014 0.74617 0.74804 0.75397 0.75487 0.76862 0.77915 0.78875 0.79279 0.80462 0.81207 0.81576 0.82528 0.82966 0.83383 0.83957 0.84304 0.85059 0.85590 0.86368 0.87144 0.88124 0.89414 0.90391 0.90940 0.91707 0.91961 0.92610 0.93052 0.93815 0.95063 0.95520 0.96169 0.96955 0.97689 0.98585 0.99282 0.99314 1.00322 1.01010 1.01583 1.02515 1.02621 1.02784 1.04992 1.05783 1.06155 1.07721 1.07839 1.08860 1.09505 1.10826 1.11600 1.11923 1.12438 1.12937 1.13101 1.13672 1.13723 1.13961 1.14592 1.15004 1.15540 1.15779 1.15937 1.16593 1.17132 1.17451 1.18230 1.18480 1.18991 1.19104 1.19676 1.20080 1.20896 1.21414 1.21950 1.22386 1.22491 1.23925 1.24045 1.24636 1.24821 1.25648 1.26467 1.27245 1.28038 1.28407 1.28721 1.30579 1.31052 1.32590 1.33327 1.34171 1.34598 1.34666 1.36816 1.37262 1.37953 1.38551 1.40185 1.41101 1.41524 1.43261 1.43793 1.44449 1.45846 1.46488 1.47733 1.49763 1.50898 1.52324 1.53718 1.54614 1.55445 1.58131 1.59422 1.60267 1.61357 1.62384 1.63119 1.64591 1.67275 1.68733 1.69252 1.70648 1.72178 1.73561 1.73860 1.74583 1.75973 1.77988 1.78986 1.80501 1.80801 1.81320 1.81852 1.82403 1.86109 1.87547 1.88120 1.90997 1.91374 1.93918 1.95140 1.96226 1.96547 1.98487 1.99939 2.01037 2.02086 2.03122 2.04799 2.05076 2.06115 2.09169 2.09652 2.11105 2.11670 2.12660 2.13740 2.14505 2.15146 2.15777 2.16123 2.17137 2.17538 2.18895 2.19409 2.20567 2.21414 2.22337 2.23041 2.24095 2.25393 2.26147 2.26375 2.27349 2.28217 2.29187 2.31111 2.31798 2.31922 2.33406 2.34006 2.34699 2.34935 2.35679 2.36333 2.39156 2.39494 2.41087 2.41911 2.42590 2.42868 2.43507 2.44497 2.45616 2.46777 2.47048 2.47782 2.48770 2.50616 2.51543 2.52290 2.53343 2.54888 2.55422 2.56790 2.58075 2.59368 2.60436 2.60772 2.62355 2.63944 2.65394 2.66057 2.66274 2.67956 2.68801 2.69329 2.70113 2.70246 2.70941 2.71507 2.72775 2.73729 2.75086 2.75573 2.75936 2.76856 2.79595 2.80545 2.81111 2.83362 2.86341 2.87173 2.88898 2.89964 2.92079 2.93618 2.95478 2.96561 2.97599 2.98477 3.00540 3.01444 3.01795 3.03142 3.04753 3.05162 3.05928 3.07069 3.07424 3.08410 3.09660 3.10296 3.12133 3.14305 3.15587 3.17020 3.18687 3.20763 3.22337 3.26423 3.27517 3.34580 3.35579 3.36911 3.37285 3.39090 3.42507 3.45163 3.61012 3.63884 3.72651 3.85805 4.44202 4.46899 4.50549 4.54286 4.55760 4.57331 4.60313 4.62276 4.65879 4.67009 4.68524 4.69447 4.76679 4.78825 4.80656 4.83303 4.85561 4.89252 4.92060 4.97788 4.99311 5.00422 5.02037 5.06393 5.11042 5.21011 5.25560 5.47071
12.06870
-1.5551 -0.8511 0.2632
1.7922
|XX|YY|ZZ|XY|XZ|YZ|
-150.1466 -164.5412 -174.8645 2.8630 -0.9910 -1.2920
|XX|YY|ZZ|XY|XZ|YZ|
13.0375 -1.3571 -11.6804 2.8630 -0.9910 -1.2920
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-49.1302 -71.0212 -27.7334 -25.4759 15.5904 10.5069 -0.6146 -2.6726 56.6598 3.2662
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-8330.9144 -4804.8201 -1332.1821 13.5017 -26.6685 176.3829 -140.7031 15.3254 9.8289 -2213.8536 -1594.8635 -1082.8359 -31.6818 -31.7377 12.6923
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385.23654
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 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171
|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|
20.1416 30.2101 37.4164 43.0139 44.4470 57.2000 73.4007 85.3806 94.1326 112.5461 123.1759 149.2554 176.1908 193.1200 212.8799 221.2407 231.4921 251.6171 257.3184 269.0243 287.0333 294.3545 312.3041 327.4986 363.5171 374.1268 386.8549 408.7680 411.7998 442.3260 448.3254 465.2587 492.0874 498.1037 520.3973 529.0369 553.1644 566.0244 592.5294 612.3789 641.4939 649.1689 683.9938 700.6518 752.7864 793.3186 803.4551 809.3298 820.6611 853.5738 857.8327 864.2653 870.1343 882.8761 885.8849 919.8688 927.3105 939.7933 943.2891 955.2423 967.1786 987.9506 993.3957 1030.5267 1032.6157 1045.6382 1068.7053 1074.8757 1091.9672 1093.0765 1097.7763 1102.0853 1111.6389 1136.4665 1142.7308 1157.4019 1180.2182 1186.5497 1188.6121 1205.5210 1213.3472 1231.0088 1242.0939 1250.3673 1272.7781 1281.9692 1294.5790 1299.1261 1308.0255 1318.7902 1330.2909 1338.5055 1351.6253 1361.5749 1363.7651 1381.1767 1403.2478 1407.9956 1418.4085 1421.3954 1430.5448 1445.8899 1455.6601 1465.3051 1478.5115 1490.5592 1503.0204 1507.0419 1509.2157 1522.4211 1527.9629 1531.6244 1536.2477 1537.4957 1541.8362 1556.7791 1560.4635 1572.0890 1582.3079 1587.9959 1617.9943 1628.2908 1631.3159 1634.3565 1636.1362 1636.4603 1641.9684 1642.5328 1643.8258 1650.5264 1650.7154 1654.8052 1659.4767 1661.7321 1671.6466 1696.1111 1780.6722 1824.1774 1967.6158 2031.9700 3180.3794 3185.4445 3186.0331 3189.1840 3190.4573 3193.5091 3203.4831 3205.1985 3207.2304 3216.5933 3219.4447 3220.8613 3223.9751 3227.0842 3228.2097 3238.5634 3240.3837 3245.5959 3247.4384 3264.7395 3266.8963 3269.1316 3273.3932 3303.1072 3323.5273 3344.8907 3356.2264 3387.1787 3389.5228 3409.5613 3914.3614
4.6307 4.2429 4.5924 4.1649 4.0838 3.7640 3.4421 4.8146 3.9349 3.9095 4.8569 2.7402 5.4165 3.8460 3.1782 2.9413 2.3583 2.3326 4.3972 2.4096 1.7326 2.6651 4.6053 2.8460 2.1648 1.2944 3.4628 1.8702 3.2762 3.7990 2.6448 2.9620 2.9087 3.8961 2.7833 3.2174 1.9423 2.1949 2.7031 2.7793 3.8178 3.8541 7.4793 6.8024 4.1569 3.5774 3.9717 5.8463 2.5973 2.4135 4.2199 1.8450 2.7227 2.3182 2.9937 1.7578 1.3559 1.5447 2.2247 2.0275 3.4659 2.4389 2.3631 1.8020 1.5311 2.2198 1.9139 1.8719 2.4584 1.3711 1.7575 1.7794 2.6094 2.2751 1.8447 1.6905 4.7179 1.5375 2.0291 2.3194 1.8306 3.6150 1.7511 4.0752 1.4886 2.2844 1.2685 2.3783 1.1981 1.7709 1.4029 1.7045 1.9059 1.9195 1.9700 1.5422 1.3472 1.2928 1.2999 1.2986 2.7887 1.7998 1.4174 1.7668 1.2821 1.3750 1.3511 1.3620 1.4443 1.5104 1.5370 1.5309 1.5104 1.5049 1.5764 1.4268 1.7363 1.4710 2.1125 2.2639 2.0623 1.0874 1.1983 1.0965 1.0973 1.1210 1.1355 1.1000 1.0870 1.0487 1.1027 1.1012 1.1053 1.0564 1.1011 2.4815 5.8761 5.4518 11.4528 11.0515 1.0664 1.0652 1.0722 1.0737 1.0702 1.0616 1.0732 1.0734 1.0342 1.0903 1.0645 1.0908 1.0667 1.0923 1.0980 1.0957 1.0928 1.0939 1.1016 1.0701 1.1050 1.1074 1.1057 1.0904 1.1020 1.1004 1.0898 1.0944 1.0899 1.0942 1.0797
0.0011 0.0023 0.0038 0.0045 0.0048 0.0073 0.0109 0.0207 0.0205 0.0292 0.0434 0.0360 0.0991 0.0845 0.0849 0.0848 0.0745 0.0870 0.1715 0.1027 0.0841 0.1361 0.2646 0.1798 0.1685 0.1067 0.3053 0.1841 0.3273 0.4379 0.3132 0.3778 0.4150 0.5695 0.4441 0.5306 0.3502 0.4143 0.5592 0.6141 0.9257 0.9570 2.0617 1.9675 1.3879 1.3265 1.5106 2.2562 1.0306 1.0361 1.8296 0.8120 1.2146 1.0646 1.3843 0.8763 0.6869 0.8038 1.1663 1.0900 1.9102 1.4025 1.3740 1.1275 0.9619 1.4299 1.2879 1.2743 1.7271 0.9652 1.2479 1.2734 1.8999 1.7313 1.4192 1.3343 3.8719 1.2754 1.6890 1.9860 1.5879 3.2276 1.5918 3.7538 1.4208 2.2120 1.2525 2.3650 1.2078 1.8147 1.4628 1.7992 2.0515 2.0966 2.1587 1.7334 1.5630 1.5101 1.5409 1.5458 3.3624 2.2169 1.7695 2.2351 1.6513 1.7999 1.7983 1.8226 1.9383 2.0626 2.1142 2.1160 2.1003 2.0960 2.2080 2.0373 2.4911 2.1419 3.1162 3.3636 3.1810 1.6987 1.8788 1.7257 1.7307 1.7688 1.8037 1.7485 1.7305 1.6833 1.7703 1.7767 1.7935 1.7188 1.8129 4.2060 10.9776 10.6887 26.1242 26.8847 6.3553 6.3682 6.4122 6.4344 6.4182 6.3790 6.4887 6.4972 6.2676 6.6465 6.5004 6.6671 6.5326 6.7024 6.7416 6.7711 6.7608 6.7894 6.8448 6.7201 6.9483 6.9728 6.9805 7.0094 7.1722 7.2540 7.2328 7.3978 7.3775 7.4942 9.7475
0.0633 0.1553 1.9785 3.3207 0.9580 0.1811 0.1486 1.4855 3.5533 0.4746 0.2113 0.8737 2.6842 3.3453 0.2829 1.9233 19.2317 4.4006 3.3930 3.9806 1.4195 2.4032 10.1858 2.6164 1.2811 116.7485 23.6275 2.6850 2.3825 4.8957 2.2863 0.0667 12.1253 12.0995 0.7853 0.2748 3.5896 9.9825 5.3488 12.3169 8.1282 15.6730 38.8504 2.4115 8.4332 2.6429 16.0975 1.0954 1.2908 4.9125 43.2739 1.3649 15.2979 3.5662 9.7569 22.1093 1.0754 5.9172 13.4638 40.4478 14.5176 0.7117 13.3770 10.1691 12.4575 12.3307 1.3821 7.3889 16.2332 1.1678 3.6068 18.0861 0.3157 6.9370 8.3173 0.0764 58.5295 0.2914 1.2195 14.2663 7.0559 9.9937 63.9190 17.4880 3.3220 49.0024 3.0837 4.6880 25.0503 13.9480 26.5748 1.1466 19.4330 12.6505 45.9982 51.0550 23.0644 5.5177 6.2267 2.4116 305.9326 49.7498 22.3489 99.2993 9.6929 0.5237 130.8845 27.1767 0.0651 63.1571 0.1782 2.9651 6.3001 59.6566 5.5553 27.7115 212.9468 11.3486 10.0398 24.4687 131.1311 1.3506 30.6454 1.6056 13.1735 16.4784 50.1466 3.0653 8.6481 3.5671 3.6891 2.3333 0.0355 26.3309 4.5181 117.9407 31.0092 71.8631 872.6370 163.3352 18.8209 16.4302 17.5237 18.9948 20.3023 43.3994 35.4856 41.7991 51.3353 72.1898 7.4912 14.8068 17.9754 53.6382 103.9042 73.2293 75.8832 44.6556 100.3052 23.9263 23.0491 57.6683 41.3886 44.3220 47.1400 7.3253 12.7836 15.7059 7.9521 11.0040 53.5846
1.9539 0.3318 1.2634 2.4980 2.1766 0.6811 0.2965 0.7254 0.8355 0.8950 1.1781 0.2614 0.1506 0.8095 1.9830 0.3771 0.1696 0.9115 0.1115 3.5485 0.5401 0.3239 0.7609 0.3214 1.1404 0.6010 0.6514 0.4825 1.7274 2.2733 0.5109 0.2253 1.3056 0.3078 0.7774 0.5848 0.3828 0.8722 0.6041 0.6836 4.0147 0.5450 6.5149 5.3418 5.5378 0.4964 4.4177 1.6542 12.4055 0.8946 1.5494 2.0967 3.3753 22.4751 3.7928 2.5222 3.4140 1.0752 1.8503 1.3866 0.7147 1.6849 5.9039 1.2791 1.2273 4.7861 1.1835 1.0072 17.8712 0.8554 7.3162 1.2711 0.1325 8.6858 4.7826 7.2130 2.2184 1.4071 3.7627 1.3663 1.0858 0.9099 2.4855 2.9801 4.2835 1.9151 4.8171 2.1769 3.9514 12.6169 4.1605 4.4714 2.2799 4.8363 2.4746 2.2541 12.9518 22.0873 13.0603 5.7155 14.4432 11.3453 2.3148 3.2605 4.6840 0.2615 1.9263 4.3473 1.1160 2.3434 0.8872 1.6004 1.8072 0.5176 4.0604 0.3651 5.8301 7.4790 0.8939 2.6984 2.2497 17.4255 7.0817 20.7862 21.3710 15.4915 4.3675 5.4237 2.4221 27.0942 4.8187 5.7146 1.8903 11.9773 5.6259 1.4979 4.7058 44.3399 0.7424 7.3268 45.4659 18.6383 47.0589 109.6905 97.0611 25.5664 27.9876 117.4832 106.3078 64.5725 52.4274 99.7567 61.6324 129.1678 164.9272 161.7903 65.8672 173.1248 49.5892 53.8989 55.4982 42.7430 61.3923 70.7860 135.7086 20.3858 35.9299 68.5819 60.3706 96.7574 43.2604
0.7305 0.7319 0.7451 0.7457 0.7422 0.7497 0.7418 0.7146 0.6934 0.7497 0.6724 0.3465 0.7230 0.7307 0.2508 0.6794 0.6386 0.2607 0.0741 0.3040 0.2605 0.7337 0.4420 0.5839 0.6301 0.6848 0.5586 0.3526 0.6754 0.1142 0.7497 0.3654 0.5381 0.4784 0.7345 0.7002 0.2494 0.1649 0.2480 0.7016 0.1969 0.2154 0.0800 0.7434 0.1642 0.4595 0.0774 0.6436 0.0474 0.5254 0.6305 0.3609 0.5827 0.0222 0.4573 0.2315 0.4253 0.1355 0.5913 0.6957 0.7191 0.6360 0.1648 0.0859 0.3635 0.6753 0.6527 0.5053 0.4909 0.7148 0.7420 0.7400 0.7367 0.6550 0.7498 0.7495 0.7494 0.7500 0.6362 0.1923 0.4417 0.4062 0.6738 0.6350 0.7482 0.7419 0.7459 0.4393 0.3655 0.1163 0.6022 0.6397 0.7294 0.1139 0.7403 0.7439 0.6828 0.7309 0.7426 0.4848 0.2702 0.6526 0.5157 0.4567 0.7076 0.6998 0.7363 0.7405 0.7491 0.3325 0.7491 0.6742 0.7257 0.2827 0.6454 0.7486 0.5677 0.7341 0.3906 0.3322 0.7177 0.7468 0.6943 0.7255 0.7497 0.7077 0.7446 0.7407 0.7093 0.7447 0.5557 0.7175 0.5593 0.6254 0.7481 0.2110 0.7420 0.5158 0.7297 0.2994 0.3700 0.7166 0.3132 0.2263 0.3218 0.6993 0.5290 0.2366 0.0329 0.6281 0.7268 0.1635 0.1669 0.3274 0.2511 0.2159 0.6872 0.1754 0.2855 0.1126 0.6754 0.7307 0.6287 0.2399 0.4927 0.6293 0.5275 0.1843 0.5361 0.1610 0.2444
0.8443 0.8452 0.8539 0.8543 0.8520 0.8569 0.8518 0.8335 0.8189 0.8569 0.8041 0.5147 0.8392 0.8444 0.4010 0.8091 0.7795 0.4135 0.1381 0.4663 0.4133 0.8464 0.6130 0.7373 0.7731 0.8129 0.7168 0.5214 0.8062 0.2049 0.8570 0.5352 0.6997 0.6472 0.8469 0.8237 0.3992 0.2832 0.3974 0.8246 0.3290 0.3544 0.1481 0.8528 0.2820 0.6297 0.1437 0.7832 0.0906 0.6889 0.7734 0.5304 0.7363 0.0434 0.6276 0.3760 0.5968 0.2386 0.7432 0.8205 0.8366 0.7775 0.2829 0.1582 0.5332 0.8062 0.7898 0.6714 0.6586 0.8337 0.8519 0.8506 0.8484 0.7915 0.8570 0.8568 0.8568 0.8571 0.7776 0.3226 0.6127 0.5777 0.8051 0.7767 0.8560 0.8518 0.8544 0.6104 0.5354 0.2083 0.7517 0.7803 0.8435 0.2045 0.8507 0.8531 0.8115 0.8445 0.8523 0.6530 0.4255 0.7898 0.6805 0.6271 0.8288 0.8234 0.8482 0.8509 0.8565 0.4990 0.8566 0.8054 0.8411 0.4408 0.7845 0.8562 0.7243 0.8466 0.5618 0.4988 0.8357 0.8550 0.8196 0.8409 0.8569 0.8289 0.8536 0.8511 0.8299 0.8537 0.7144 0.8355 0.7174 0.7695 0.8559 0.3485 0.8519 0.6806 0.8438 0.4608 0.5401 0.8349 0.4770 0.3691 0.4869 0.8230 0.6920 0.3826 0.0637 0.7716 0.8418 0.2810 0.2861 0.4933 0.4015 0.3551 0.8146 0.2984 0.4442 0.2024 0.8063 0.8444 0.7720 0.3870 0.6601 0.7724 0.6907 0.3113 0.6980 0.2773 0.3927
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
6 8 6 6 6 6 6 6 6 1 6 6 6 6 6 7 6 7 6 8 6 6 6 6 6 6 7 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 1 1 1
12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 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 1.00783 1.00783 1.00783
8279.6103 12058.4216 17368.6553
0.99989 0.01479 0.00317 -0.01476 0.99983 -0.01078 -0.00332 0.01073 0.99994
1
0.01046 0.00718 0.00499
0.21797 0.14967 0.10391
28.98 43.47 53.83 61.89 63.95 82.30 105.61 122.84 135.44 161.93 177.22 214.75 253.50 277.86 306.29 318.32 333.07 362.02 370.22 387.07 412.98 423.51 449.34 471.20 523.02 538.29 556.60 588.13 592.49 636.41 645.04 669.40 708.00 716.66 748.74 761.17 795.88 814.38 852.52 881.08 922.97 934.01 984.11 1008.08 1083.09 1141.41 1155.99 1164.45 1180.75 1228.10 1234.23 1243.49 1251.93 1270.26 1274.59 1323.49 1334.19 1352.15 1357.18 1374.38 1391.55 1421.44 1429.27 1482.70 1485.70 1504.44 1537.63 1546.51 1571.10 1572.69 1579.46 1585.65 1599.40 1635.12 1644.13 1665.24 1698.07 1707.18 1710.15 1734.48 1745.74 1771.15 1787.10 1799.00 1831.24 1844.47 1862.61 1869.15 1881.96 1897.44 1913.99 1925.81 1944.69 1959.00 1962.15 1987.21 2018.96 2025.79 2040.77 2045.07 2058.23 2080.31 2094.37 2108.25 2127.25 2144.58 2162.51 2168.30 2171.42 2190.42 2198.40 2203.67 2210.32 2212.11 2218.36 2239.86 2245.16 2261.89 2276.59 2284.77 2327.93 2342.75 2347.10 2351.47 2354.04 2354.50 2362.43 2363.24 2365.10 2374.74 2375.01 2380.90 2387.62 2390.86 2405.13 2440.33 2561.99 2624.58 2830.96 2923.55 4575.86 4583.14 4583.99 4588.52 4590.36 4594.75 4609.10 4611.57 4614.49 4627.96 4632.06 4634.10 4638.58 4643.05 4644.67 4659.57 4662.19 4669.69 4672.34 4697.23 4700.34 4703.55 4709.68 4752.43 4781.81 4812.55 4828.86 4873.39 4876.77 4905.60 5631.89
0.552150
0.576630
0.577575
0.496113
-1238.578380
-1238.553900
-1238.552956
-1238.634418
2.732249D-04
MUNgauss
RevisionA2.0
retrievium
31-Jul-2020
DUDE COc1ccc(cc1)[C@@H]2CCCCCN2CN3C(=O)C4(CCCCC4)NC3=O C58160787
RHF
6-31G(d)
(6D,10F)
C1
385.236542
|X|Y|Z|
62.360516 78.385967 31.305701
53.488097
24
|36.858105|
|13.623561|73.516695|
|8.022749|25.077293|36.858105|
|5.258020|14.552351|13.644083|36.858105|
|3.992404|9.419690|7.939158|13.861668|36.858105|
|3.772245|8.145735|6.779290|7.860523|13.613520|36.858105|
|4.510793|9.227159|7.936286|6.914403|8.030407|13.808555|36.858105|
|6.730709|13.987178|13.803289|7.953204|6.907086|7.853651|13.659626|36.858105|
|2.902871|5.960334|4.393037|5.012422|7.567422|12.470422|7.411974|4.944535|36.858105|
|2.716890|5.632902|4.043038|4.833830|7.312917|9.098630|5.762421|4.274735|17.557873|0.500000|
|2.655504|5.192188|3.669705|3.837645|4.980730|7.402502|6.376759|4.365328|12.378704|0.249182|36.858105|
|2.197786|4.251810|2.873255|3.047837|3.806884|4.852395|4.225749|3.241929|7.386539|0.197308|12.421205|36.858105|
|1.991424|3.864425|2.569441|2.773066|3.441826|4.134053|3.536633|2.814625|6.152530|0.167314|7.281373|12.409655|36.858105|
|2.005165|3.975092|2.644442|2.975808|3.788022|4.272554|3.437503|2.787882|6.367365|0.194240|5.841888|7.410951|12.417127|36.858105|
|2.223708|4.492615|3.040101|3.518497|4.652885|5.152056|3.929791|3.162018|7.640364|0.213760|5.672333|5.669016|7.345256|12.369243|36.858105|
|2.612737|5.319176|3.759663|4.304588|6.029499|7.683733|5.468136|4.070982|13.050801|0.260332|7.636124|6.084818|6.523793|7.532907|13.123348|53.358707|
|2.616454|5.191469|3.599762|3.872829|4.906140|6.175025|5.230133|4.017465|7.636445|0.158075|6.099324|4.892698|5.288899|5.356928|7.695287|18.228339|36.858105|
|2.845889|5.711081|3.913907|4.204144|5.007209|5.627887|5.001441|4.194373|5.610779|0.126137|4.423402|3.615457|3.787015|3.996471|5.569936|10.626933|12.958818|53.358707|
|2.638554|5.364324|3.540049|3.965342|4.571461|4.568245|3.964177|3.542777|4.533341|0.111112|3.563682|3.084511|3.315874|3.702223|5.231580|8.367324|7.573834|19.013867|36.858105|
|2.342747|4.763695|3.100875|3.562921|4.181951|4.080322|3.435536|3.059740|4.308032|0.111101|3.386891|3.069603|3.431667|4.052240|5.955704|8.196317|6.496290|11.341755|15.970941|73.516695|
|2.809011|5.662001|3.575177|3.855778|4.035422|3.874485|3.603265|3.471129|3.570879|0.089191|2.938852|2.544190|2.648559|2.869676|3.714643|5.827105|5.052384|11.093312|12.469630|13.971443|36.858105|
|2.344180|4.580482|2.790015|2.954543|3.061810|2.978535|2.816853|2.731198|2.859656|0.073022|2.459863|2.209564|2.343933|2.524083|3.145166|4.630732|3.974286|7.491332|7.571876|11.271771|12.400737|36.858105|
|2.327247|4.467386|2.618481|2.706086|2.687153|2.580281|2.509474|2.525016|2.420284|0.062498|2.124363|1.912658|1.990928|2.115771|2.541620|3.735155|3.106458|5.497614|4.903060|7.621874|7.497558|12.442420|36.858105|
|2.457357|4.801776|2.748186|2.885498|2.779055|2.566235|2.475023|2.549151|2.356460|0.061894|2.041631|1.834935|1.888065|2.031077|2.429894|3.549997|2.825713|4.885828|4.362076|7.008558|6.404862|7.527202|12.442691|36.858105|
|3.010559|6.098245|3.487539|3.705355|3.443853|3.072417|2.956009|3.116498|2.706710|0.070791|2.289294|2.011592|2.034853|2.196677|2.663125|4.006549|3.141361|5.566951|4.903390|7.532204|7.489455|6.446810|7.537828|12.443654|36.858105|
|3.049315|6.399879|3.930264|4.438192|4.367029|3.824524|3.501568|3.534447|3.371286|0.087376|2.728013|2.366963|2.417114|2.665335|3.385339|5.183316|4.050441|7.676345|7.577544|10.986961|12.381085|7.536720|6.445901|7.522199|12.437644|36.858105|
|3.167334|6.203685|3.951851|3.959403|4.048704|4.122738|4.127973|4.036525|3.659310|0.088222|3.110140|2.612338|2.644461|2.744993|3.440787|5.714687|5.268407|11.765120|8.338654|9.828329|13.109301|7.671274|6.103409|5.114950|6.080246|7.637470|53.358707|
|3.210256|6.269737|4.226298|4.186696|4.555461|5.103404|5.192422|4.668143|4.577705|0.104299|3.890242|3.136930|3.140903|3.177058|4.028744|7.274416|7.568636|18.647156|8.362684|9.879455|8.112384|5.477502|4.343404|3.788756|4.400980|5.600985|19.147506|36.858105|
|3.362678|6.302247|4.246444|3.938617|4.205930|5.008060|5.699942|5.096192|4.440377|0.099651|4.062916|3.200727|3.096250|2.994800|3.602465|6.513936|6.557021|11.261986|5.565482|7.483307|5.436557|4.183255|3.579304|3.176825|3.628976|4.267293|11.338604|15.942836|73.516695|
|17.556971|16.439198|7.033649|4.752983|3.793146|3.718241|4.570035|6.733777|2.891251|0.073656|2.666686|2.196981|2.005405|2.002777|2.236159|3.611719|2.737398|4.124199|2.771729|4.296559|3.006958|2.504921|2.503570|2.601811|3.179275|3.184224|4.800216|3.559255|6.789229|0.500000|
|17.640241|17.000945|5.881558|4.412714|3.415382|3.169120|3.615206|4.905115|2.528021|0.066763|2.320234|1.965520|1.801677|1.825119|2.012908|3.149966|2.313528|3.432196|2.393081|3.825644|2.578753|2.199611|2.225467|2.387336|2.898173|2.843180|3.873719|2.811411|5.149049|0.299901|0.500000|
|17.557941|16.444225|7.059775|4.775146|3.808360|3.731540|4.581929|6.740861|2.901721|0.075692|2.728598|2.254910|2.007904|1.996192|2.174654|3.472334|2.529549|3.632182|2.441589|3.895512|2.531511|2.135787|2.096818|2.182663|2.610275|2.688094|3.867882|2.962724|5.624713|0.299133|0.299938|0.500000|
|4.869834|13.467724|8.937686|17.728369|8.902403|5.600350|4.974466|5.667899|4.090561|0.114082|3.222649|2.678609|2.489838|2.714152|3.181288|5.015654|3.331252|4.978612|3.642911|5.982310|3.646901|2.863752|2.675435|2.948365|3.827969|4.453092|4.892010|3.616878|5.954787|0.119587|0.121180|0.120236|0.500000|
|3.337288|7.622049|5.653317|8.999627|17.697411|8.893790|5.685819|4.968185|7.092079|0.218245|4.601391|3.764575|3.538113|4.138678|5.213525|8.398610|4.705903|6.434662|4.620216|8.011500|3.943608|3.052990|2.648772|2.762218|3.367928|4.348683|5.065266|4.064879|6.489792|0.088184|0.082248|0.088510|0.215580|0.500000|
|3.929103|7.472553|5.676503|4.976415|5.672015|8.924220|17.746321|8.995450|6.796816|0.144013|7.140425|4.560310|3.706034|3.408882|3.760437|7.041768|5.230995|6.415692|3.646452|5.654851|3.295304|2.656100|2.367419|2.288240|2.657446|3.089207|5.228683|4.968051|10.485291|0.113617|0.089311|0.113676|0.107941|0.124318|0.500000|
|7.439318|12.456804|8.885202|5.636768|4.973920|5.634753|8.943770|17.764056|4.053986|0.098430|3.839268|2.939275|2.558522|2.484199|2.757145|4.701924|3.525252|4.997738|3.117795|4.804856|3.125250|2.535208|2.390232|2.392330|2.866871|3.129944|5.056186|4.233127|8.649152|0.224799|0.145596|0.222883|0.124171|0.107853|0.219660|0.500000|
|2.660490|5.089857|3.559292|3.576938|4.431255|6.485418|6.369431|4.383384|8.803525|0.174994|17.537759|8.853560|6.426966|4.989379|5.074033|9.551206|6.784070|6.502454|3.670794|6.026346|3.048150|2.560357|2.205713|2.082999|2.319012|2.743855|4.539480|4.330841|8.441793|0.075910|0.064335|0.075668|0.083550|0.111399|0.222714|0.110667|0.500000|
|2.811688|5.445764|3.850601|3.908239|4.879124|7.092638|6.763892|4.686197|8.834888|0.208613|17.537683|8.922893|5.427614|4.590598|4.423027|7.601182|4.706505|5.108321|3.106760|5.221263|2.667962|2.244634|1.980565|1.926547|2.172716|2.537983|3.878672|3.474844|6.582866|0.077370|0.067786|0.082208|0.090663|0.121481|0.215050|0.115680|0.304710|0.500000|
|2.080827|3.944036|2.618611|2.700160|3.238879|4.056890|3.789018|2.989205|5.462597|0.142866|8.926030|17.521339|8.871167|5.471930|4.390898|6.413914|4.171270|4.345379|2.728288|4.779407|2.307536|2.035719|1.783529|1.702949|1.851029|2.138524|3.271247|2.868605|5.330261|0.058076|0.051863|0.059814|0.066395|0.087543|0.117849|0.077441|0.221440|0.214724|0.500000|
|2.148260|4.182848|2.804891|3.021853|3.760852|4.563391|3.904768|3.086099|6.547611|0.203084|8.865791|17.495751|8.906318|6.954501|5.141575|7.070742|4.072312|4.340889|2.815698|5.050927|2.358871|2.056405|1.798902|1.750136|1.923829|2.249942|3.251416|2.793851|5.010425|0.058791|0.053706|0.061529|0.074724|0.105695|0.112648|0.077376|0.174611|0.222059|0.304678|0.500000|
|1.991429|3.832702|2.541298|2.699752|3.301810|4.006615|3.535066|2.816662|5.705177|0.142749|6.688208|8.783569|17.505056|8.787165|6.980228|9.089636|6.173809|5.717081|3.574631|6.480632|2.822285|2.513717|2.111175|1.966412|2.101920|2.498801|3.882222|3.453838|6.085077|0.056435|0.049973|0.055461|0.067122|0.092527|0.104993|0.071827|0.189472|0.137461|0.208831|0.173625|0.500000|
|1.800589|3.459309|2.256817|2.414746|2.909109|3.378415|2.980823|2.449630|4.614481|0.129841|5.437490|8.940403|17.528098|8.892025|5.482600|6.502330|4.115458|4.277732|2.828629|5.243924|2.321632|2.100440|1.808058|1.717821|1.831044|2.137123|3.145902|2.682200|4.728473|0.050257|0.045651|0.050618|0.061163|0.083336|0.086911|0.062804|0.137886|0.124201|0.223873|0.213696|0.304470|0.500000|
|1.813789|3.568540|2.325753|2.599212|3.193141|3.473182|2.892677|2.422486|4.706905|0.140855|4.425451|5.499438|8.820005|17.518930|8.922031|7.652629|4.485179|4.811318|3.403652|6.816487|2.676371|2.425739|2.037599|1.949803|2.071367|2.483507|3.433068|2.848187|4.747219|0.050414|0.046322|0.049992|0.067168|0.097247|0.079842|0.060783|0.110739|0.101672|0.124895|0.147183|0.201368|0.226551|0.500000|
|2.019784|4.031299|2.678881|3.057506|3.910099|4.285284|3.399591|2.784730|6.216471|0.217695|5.624735|7.154362|8.888915|17.516636|8.776329|8.564501|4.453443|4.797124|3.315848|6.393996|2.652955|2.324928|1.984239|1.938559|2.115097|2.544053|3.454633|2.890131|4.877605|0.055319|0.051187|0.056184|0.078046|0.121473|0.092040|0.068539|0.126358|0.130383|0.145810|0.221719|0.174074|0.205404|0.305700|0.500000|
|2.081426|4.153841|2.754197|3.120359|3.919827|4.258956|3.451783|2.860101|5.651849|0.150329|4.610562|4.657610|6.240788|8.844004|17.639672|12.649642|7.693879|7.889132|5.711966|12.372442|3.919416|3.432397|2.702146|2.525641|2.699485|3.427359|4.828783|4.092451|6.375776|0.058767|0.052715|0.056163|0.079560|0.119104|0.093201|0.070568|0.122971|0.102696|0.106857|0.115660|0.184708|0.138487|0.229053|0.175930|0.500000|
|2.234258|4.589521|3.083479|3.709551|4.931079|4.953471|3.707559|3.085215|6.579523|0.205808|4.720373|4.636854|5.475830|8.844366|17.520917|12.403678|5.929395|6.794069|5.115034|10.905481|3.721631|3.142093|2.559750|2.509043|2.774012|3.566593|4.521624|3.718758|5.821810|0.061700|0.056602|0.060283|0.095601|0.166843|0.095262|0.074057|0.115660|0.109172|0.102665|0.125400|0.140201|0.123747|0.204992|0.225135|0.306708|0.500000|
|2.737961|5.310105|3.700419|3.775535|4.629685|6.260338|5.938026|4.385890|7.312601|0.145789|6.841343|5.087719|5.064648|4.641952|5.765519|12.431271|17.673626|12.816948|5.744066|8.618770|4.404977|3.538810|2.884635|2.621852|2.918132|3.603451|6.820584|7.629972|14.083472|0.080571|0.066451|0.074455|0.088699|0.117195|0.180536|0.109298|0.246481|0.146958|0.125495|0.114152|0.166779|0.111117|0.108341|0.110732|0.154751|0.128835|0.500000|
|2.287402|4.467131|2.993033|3.199936|3.900278|4.622007|4.059971|3.280078|5.749735|0.130878|5.098627|4.588126|5.465503|5.481930|7.529731|12.594024|17.621663|12.561851|6.789828|11.422653|4.599951|3.918357|3.026765|2.696338|2.887511|3.630877|6.284293|6.056322|9.502992|0.066453|0.057060|0.061601|0.078921|0.107518|0.115244|0.082303|0.157359|0.111256|0.111506|0.105807|0.191852|0.120685|0.134742|0.120540|0.250157|0.155887|0.302814|0.500000|
|2.209959|4.244893|2.600412|2.706789|2.844773|2.863682|2.743180|2.617867|2.813606|0.071062|2.478671|2.242667|2.403166|2.540719|3.128968|4.606826|4.122012|7.576743|6.936474|10.391879|8.848197|17.553022|8.800825|5.484296|4.837049|5.499301|9.751016|5.589493|7.764201|0.066023|0.057350|0.056610|0.071774|0.078187|0.073520|0.068326|0.072886|0.062356|0.057880|0.057312|0.072924|0.059967|0.068187|0.064094|0.096784|0.084382|0.103159|0.117295|0.500000|
|2.161940|4.258374|2.592530|2.811138|2.952347|2.829549|2.613194|2.511214|2.777085|0.072359|2.374084|2.172977|2.340894|2.577795|3.225160|4.546209|3.751913|6.670567|7.086974|12.450962|8.920567|17.555097|8.833364|6.789952|5.688474|6.842092|7.667543|4.502119|6.304214|0.063109|0.056711|0.055112|0.076831|0.084168|0.068255|0.064322|0.067607|0.060003|0.055312|0.056638|0.069152|0.058592|0.069850|0.066018|0.099281|0.091413|0.090775|0.104949|0.302527|0.500000|
|2.453126|4.618138|2.686223|2.695420|2.643655|2.580067|2.576966|2.626611|2.389757|0.061045|2.127048|1.897310|1.951604|2.037609|2.420633|3.629886|3.067069|5.420127|4.495947|6.758772|6.730052|8.830509|17.498754|8.835307|6.758362|5.640130|9.043040|4.594066|6.916188|0.074748|0.065011|0.061143|0.073114|0.070884|0.068094|0.070170|0.062053|0.055421|0.049518|0.049344|0.057738|0.049228|0.054135|0.053109|0.070816|0.066809|0.081278|0.082244|0.214311|0.173413|0.500000|
|2.060054|3.910855|2.278938|2.352339|2.351215|2.274407|2.211748|2.212633|2.172567|0.056573|1.936022|1.771291|1.857927|1.969679|2.327528|3.347338|2.761823|4.677834|4.087512|6.690473|5.483864|8.857311|17.545247|8.811050|5.490990|4.839953|6.344753|3.603954|5.461357|0.061176|0.055135|0.052118|0.064866|0.064939|0.058610|0.058650|0.055800|0.050193|0.046162|0.046381|0.054768|0.047345|0.053334|0.051281|0.069336|0.065011|0.071512|0.076441|0.212221|0.214561|0.304244|0.500000|
|2.376282|4.552083|2.542087|2.616302|2.480703|2.302743|2.257185|2.358548|2.109649|0.055629|1.857738|1.676921|1.713304|1.824995|2.140437|3.119361|2.468162|4.139769|3.524717|5.726451|4.812961|5.486896|8.814271|17.538633|8.815514|5.484999|5.773566|3.265414|5.053970|0.070026|0.065163|0.058544|0.074708|0.068014|0.058360|0.062434|0.052704|0.049167|0.043574|0.044592|0.049437|0.043628|0.048780|0.048665|0.061409|0.061156|0.064743|0.065623|0.123079|0.139309|0.214765|0.211245|0.500000|
|2.248393|4.429561|2.549425|2.739084|2.677371|2.449029|2.316971|2.355368|2.288155|0.060957|1.974732|1.798470|1.868808|2.038498|2.438201|3.471656|2.708308|4.570238|4.189792|7.140371|5.634225|6.784075|8.857654|17.504135|8.858844|6.776715|5.857625|3.376290|5.051948|0.065039|0.060868|0.056072|0.078740|0.075686|0.059490|0.060986|0.055427|0.051617|0.046201|0.047937|0.053758|0.047431|0.054876|0.054187|0.070788|0.070959|0.068837|0.072644|0.139302|0.199955|0.173688|0.215081|0.303312|0.500000|
|3.379430|6.692334|3.744506|3.772059|3.412398|3.107611|3.103644|3.370259|2.681160|0.069194|2.301911|1.998586|1.994111|2.112632|2.529436|3.889944|3.099315|5.482760|4.489653|6.685039|6.709289|5.630607|6.752437|8.837652|17.494594|8.819702|8.979054|4.658782|7.027555|0.102120|0.090186|0.079837|0.105933|0.089580|0.077751|0.087687|0.065486|0.061222|0.051475|0.052863|0.057437|0.049835|0.054969|0.056512|0.070693|0.071939|0.082223|0.078338|0.126144|0.131103|0.197632|0.138828|0.215050|0.173731|0.500000|
|3.024485|6.212810|3.443514|3.718227|3.357322|2.911330|2.784683|2.980004|2.551688|0.067995|2.159896|1.910414|1.920142|2.084486|2.492231|3.695017|2.804716|4.752569|4.089871|6.591366|5.481049|4.842320|5.490338|8.808086|17.547494|8.860776|6.322295|3.661012|5.557735|0.086494|0.082640|0.072475|0.111698|0.092363|0.069023|0.076007|0.059991|0.057560|0.048825|0.051360|0.054428|0.048275|0.054703|0.056527|0.069263|0.073224|0.072664|0.071653|0.106665|0.127485|0.138852|0.123156|0.211098|0.215117|0.304574|0.500000|
|2.697196|5.656525|3.464959|4.049392|4.117207|3.550390|3.150438|3.114666|3.254204|0.086748|2.619810|2.326537|2.415712|2.733216|3.493679|5.082254|3.817300|6.803673|7.092964|12.062834|8.917714|6.848904|5.690088|6.791286|8.841386|17.545762|7.649466|4.571705|6.396569|0.076656|0.070639|0.067177|0.116128|0.120658|0.077743|0.076595|0.072065|0.067387|0.058050|0.062027|0.068733|0.059649|0.071690|0.072769|0.099115|0.105721|0.092215|0.097549|0.140544|0.203704|0.131290|0.127449|0.139333|0.199897|0.173391|0.214918|0.500000|
|3.563919|7.873940|5.002068|5.928731|5.615757|4.620660|4.166500|4.284376|3.828177|0.098904|3.008716|2.546266|2.541828|2.800901|3.564712|5.663334|4.268687|7.907719|6.943624|10.022217|8.833974|5.499242|4.837007|5.481553|8.793242|17.565398|9.681106|5.814382|8.055630|0.101989|0.090552|0.086169|0.164081|0.150532|0.098087|0.101633|0.083045|0.078487|0.063393|0.067575|0.072126|0.061880|0.071085|0.075280|0.096544|0.105039|0.106733|0.101933|0.123583|0.140473|0.126334|0.106640|0.123035|0.139201|0.213974|0.212149|0.302455|0.500000|
|3.381385|6.443889|3.940980|3.776690|3.675349|3.702621|3.868456|3.995040|3.220269|0.078684|2.810420|2.370932|2.364227|2.426137|2.944611|4.803166|4.245143|8.274359|5.856832|7.706216|8.727485|6.416630|6.099372|5.242967|6.301549|6.662723|26.107093|9.359775|13.138210|0.107639|0.084956|0.082825|0.096438|0.092713|0.100499|0.105534|0.083660|0.073169|0.061373|0.060737|0.070253|0.058124|0.062227|0.063136|0.083367|0.079574|0.116930|0.105011|0.166321|0.133548|0.205245|0.128993|0.126196|0.117207|0.215577|0.133208|0.136444|0.175872|0.500000|
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