Version2.0
2019-11-13T04:03:36Z
10.1021/jm300687e
Gaussian16
RevisionB.01
PWARBURT
02-Oct-2019
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE CCCc1ccc(cc1)c2cc(c3ccccc3n2)C(=O)NNC(=O)NC45CC6CC(C4)CC(C6)C5 C20595909
RHF
6-31G(d)
(6D,7F)
CCCc1ccc(cc1)c2cc(c3ccccc3n2)C(=O)NNC(=O)NC45CC6CC(C4)CC(C6)C5
C01[X(C30H34N4O2)]
204
C1
608
CCCc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)NNC(=O)NC12CC3CC(C2)CC(C1)C3
CCCc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)NNC(=O)N[C@]12C[C@H]3C[C@@H](C2)C[C@@H](C1)C3
CCCc1ccc(cc1)c2cc(C(=O)NNC(=O)NC34CC5CC(CC(C5)C3)C4)c6ccccc6n2
InChIKey=FRTSJNLFOMNMDB-LRCVZRIPSA-N
InChI=1S/C30H34N4O2/c1-2-5-19-8-10-23(11-9-19)27-15-25(24-6-3-4-7-26(24)31-27)28(35)33-34-29(36)32-30-16-20-12-21(17-30)14-22(13-20)18-30/h3-4,6-11,15,20-22H,2,5,12-14,16-18H2,1H3,(H,33,35)(H2,32,34,36)/t20-,21+,22-,30-
InChI=1/C30H34N4O2/c1-2-5-19-8-10-23(11-9-19)27-15-25(24-6-3-4-7-26(24)31-27)28(35)33-34-29(36)32-30-16-20-12-21(17-30)14-22(13-20)18-30/h3-4,6-11,15,20-22H,2,5,12-14,16-18H2,1H3,(H,33,35)(H2,32,34,36)/t20-,21+,22-,30-/f/h32-34H
CCCc1ccc(cc1)c2cc(c3ccccc3n2)C(=O)NNC(=O)NC45CC6CC(C4)CC(C6)C5
C01[X(C30H34N4O2)]
204
C01
608
CCCc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)NNC(=O)NC12CC3CC(C2)CC(C1)C3
CCCc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)NNC(=O)N[C@]12C[C@H]3C[C@@H](C2)C[C@@H](C1)C3
CCCc1ccc(cc1)c2cc(C(=O)NNC(=O)NC34CC5CC(CC(C5)C3)C4)c6ccccc6n2
InChIKey=FRTSJNLFOMNMDB-LRCVZRIPSA-N
InChI=1S/C30H34N4O2/c1-2-5-19-8-10-23(11-9-19)27-15-25(24-6-3-4-7-26(24)31-27)28(35)33-34-29(36)32-30-16-20-12-21(17-30)14-22(13-20)18-30/h3-4,6-11,15,20-22H,2,5,12-14,16-18H2,1H3,(H,33,35)(H2,32,34,36)/t20-,21+,22-,30-
InChI=1/C30H34N4O2/c1-2-5-19-8-10-23(11-9-19)27-15-25(24-6-3-4-7-26(24)31-27)28(35)33-34-29(36)32-30-16-20-12-21(17-30)14-22(13-20)18-30/h3-4,6-11,15,20-22H,2,5,12-14,16-18H2,1H3,(H,33,35)(H2,32,34,36)/t20-,21+,22-,30-/f/h32-34H
3638.9469991039
-1523.4439609
1-A
29847.7165
129
479
608
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9.81017
3.0562 -0.9616 3.9946
5.1207
|XX|YY|ZZ|XY|XZ|YZ|
-202.0829 -210.0847 -223.6881 21.3487 -8.8538 -0.1703
|XX|YY|ZZ|XY|XZ|YZ|
9.8690 1.8672 -11.7362 21.3487 -8.8538 -0.1703
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
82.9654 -64.8154 13.9916 27.9526 10.6446 65.3721 19.1201 12.2506 7.6649 -49.1789
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
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0
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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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204
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8.3589 13.9505 20.1010 25.9311 30.0094 43.0854 46.8573 69.2756 74.1496 86.3919 91.6480 107.2034 110.7703 132.4585 158.9332 182.0299 201.4802 230.7727 243.4374 258.1042 271.9489 278.0180 279.2722 294.3637 334.1905 337.0838 348.5469 365.8712 394.4572 399.7894 413.3199 416.7572 417.7141 430.8720 434.3975 444.2913 457.5375 469.7011 484.0500 487.7849 496.5313 539.0439 541.2508 560.6467 576.9793 605.1055 607.0122 608.4380 634.6481 685.1070 699.3448 701.7588 703.3984 703.6780 727.5558 757.6432 766.3407 772.3681 800.3238 816.7351 827.7896 850.5207 856.5302 869.8765 873.3013 875.3083 880.8000 885.2799 889.4258 898.3679 940.6593 943.0399 950.1077 955.9503 977.6345 980.0838 980.7120 986.5108 987.1028 990.0504 1008.7099 1013.1920 1024.5892 1027.2402 1061.2330 1073.1527 1079.9530 1088.4844 1089.5549 1105.6856 1107.6917 1109.0885 1112.3325 1117.7064 1121.3841 1131.7758 1136.2790 1144.5041 1149.3466 1152.7807 1171.5204 1205.9671 1210.8632 1213.6040 1224.1758 1226.2800 1230.2719 1233.7053 1240.4636 1249.9859 1266.9015 1297.1484 1307.8154 1312.9492 1322.2470 1322.8221 1323.6723 1334.2681 1356.5422 1377.3034 1388.3933 1397.1310 1412.8948 1421.0183 1440.3568 1441.5864 1449.7275 1450.1781 1452.6045 1453.1467 1469.3845 1476.9193 1484.2871 1487.2549 1487.5296 1489.3487 1492.3421 1505.9987 1520.8930 1521.6417 1534.4887 1537.0426 1537.4586 1546.1721 1565.4950 1565.8670 1583.4603 1628.2322 1631.0343 1634.3031 1634.4575 1635.7498 1641.6656 1643.3231 1648.3787 1651.1549 1651.8070 1655.6319 1672.1341 1676.0851 1688.5246 1696.5983 1724.3913 1756.6746 1785.3727 1811.0199 1820.4992 1827.6822 1957.3647 1983.0996 3179.6922 3188.1613 3188.4615 3190.8449 3195.4520 3199.6449 3202.3812 3204.4260 3205.8266 3213.8451 3214.8872 3217.2199 3222.5912 3224.4493 3225.2906 3227.9432 3232.7125 3242.0329 3264.2796 3265.1028 3288.2702 3292.9278 3352.5055 3355.3813 3366.7060 3375.9643 3383.1416 3399.6348 3402.5966 3407.9485 3420.3030 3822.7322 3881.9201 3902.2275
5.3064 4.8962 3.5615 3.4162 4.8880 4.5362 4.4640 5.7392 2.7057 4.7829 2.5703 5.3256 5.2546 4.9883 5.6599 5.1626 4.7724 5.6733 5.9388 1.1396 4.8740 4.4291 3.7337 2.9094 3.4539 2.0600 3.3917 3.7596 4.9704 2.9477 3.1147 2.9781 3.5910 3.2348 4.6608 1.7478 2.9509 2.5614 2.0101 2.9710 1.8375 3.4191 2.3302 3.3051 3.6162 3.8023 4.8480 2.8407 3.9749 1.9604 4.9591 6.0054 3.6235 3.7147 4.4828 3.4097 4.6710 3.8383 1.0989 4.0006 3.8677 4.1365 2.0149 3.1031 2.6890 2.6342 3.7933 3.0295 6.3086 3.7859 2.6733 2.8104 1.2952 1.2861 1.7431 1.5596 1.7249 1.5503 1.6417 2.5305 6.3103 2.0117 1.6600 2.1077 2.0984 2.0323 4.8845 2.3062 1.3945 1.3367 4.4553 1.4124 2.6974 2.8489 3.4033 1.3346 1.6453 2.5377 1.8072 1.8807 1.6773 1.7637 1.9997 1.7410 1.3109 1.3964 1.0288 2.8677 1.0478 1.6837 3.3737 1.8226 2.2016 1.2086 2.8468 1.1854 1.1614 2.1918 1.8758 1.3925 1.8481 1.7424 1.5303 2.0951 1.3756 1.3553 1.8127 1.9725 1.8422 1.9274 1.8406 2.1080 1.3358 2.3416 1.5614 1.7314 1.9506 5.0471 1.5914 1.5997 1.4853 1.5792 1.5389 1.5677 2.2417 1.2870 2.2333 1.3734 2.5548 1.1019 1.0740 1.0998 1.0741 1.0429 1.1030 1.1015 1.1020 1.0934 2.0404 1.0942 2.3383 2.6317 2.0197 6.1800 7.9231 6.6991 5.4815 5.5261 7.3197 10.9188 1.0613 1.0662 1.0627 1.0665 1.0432 1.0750 1.0545 1.0741 1.0608 1.1020 1.0842 1.0880 1.1039 1.1020 1.1008 1.0827 1.1045 1.1054 1.1047 1.1020 1.0947 1.0941 1.0892 1.0909 1.0888 1.0948 1.0927 1.0918 1.0967 1.0936 1.0948 1.0774 1.0798 1.0775
0.0002 0.0006 0.0008 0.0014 0.0026 0.0050 0.0058 0.0162 0.0088 0.0210 0.0127 0.0361 0.0380 0.0516 0.0842 0.1008 0.1141 0.1780 0.2074 0.0447 0.2124 0.2017 0.1716 0.1485 0.2273 0.1379 0.2428 0.2965 0.4557 0.2776 0.3135 0.3048 0.3692 0.3538 0.5182 0.2033 0.3640 0.3329 0.2775 0.4165 0.2669 0.5853 0.4022 0.6121 0.7093 0.8203 1.0525 0.6196 0.9433 0.5421 1.4290 1.7425 1.0563 1.0837 1.3981 1.1532 1.6162 1.3491 0.4147 1.5723 1.5615 1.7630 0.8709 1.3835 1.2083 1.1891 1.7339 1.3989 2.9404 1.8002 1.3937 1.4726 0.6889 0.6925 0.9816 0.8826 0.9775 0.8890 0.9425 1.4614 3.7830 1.2167 1.0267 1.3104 1.3924 1.3790 3.3565 1.6099 0.9754 0.9628 3.2208 1.0236 1.9664 2.0969 2.5215 1.0072 1.2516 1.9585 1.4065 1.4726 1.3564 1.5113 1.7275 1.5108 1.1575 1.2372 0.9174 2.5717 0.9499 1.5500 3.1904 1.8069 2.2186 1.2276 2.9325 1.2221 1.1989 2.2990 2.0337 1.5563 2.0989 2.0039 1.7999 2.4926 1.6814 1.6595 2.2446 2.4441 2.2903 2.3979 2.3414 2.7092 1.7339 3.0517 2.0356 2.2628 2.5595 6.7443 2.1688 2.1822 2.0606 2.1982 2.1432 2.2082 3.2369 1.8593 3.2992 2.1453 4.0043 1.7340 1.6905 1.7338 1.7056 1.6594 1.7658 1.7693 1.7715 1.7659 3.3614 1.8111 3.9279 4.4632 3.5384 11.2363 14.8800 12.9453 10.7037 10.8760 16.5230 25.2996 6.3220 6.3851 6.3652 6.3975 6.2761 6.4842 6.3713 6.4985 6.4235 6.7062 6.6020 6.6350 6.7543 6.7506 6.7469 6.6466 6.8007 6.8455 6.9354 6.9218 6.9741 6.9897 7.2128 7.2365 7.2713 7.3515 7.3684 7.4345 7.4813 7.4833 7.5460 9.2760 9.5874 9.6674
0.0794 0.1049 0.0358 0.0193 0.4345 0.8132 0.5340 3.5578 0.2001 0.4372 0.0471 3.8278 3.3217 2.7764 4.1028 0.5330 1.2881 3.5501 0.7033 0.5067 14.1117 9.9106 1.9976 1.4413 35.2516 0.3062 10.0067 8.8791 2.4247 5.1836 7.6394 10.4364 1.9932 1.6372 0.4131 4.1358 0.2503 5.4733 2.4034 3.9688 0.9605 21.3097 34.6693 27.9673 11.6207 5.2083 40.2713 8.6336 13.5435 134.7856 10.8613 2.5066 0.8652 0.6928 14.4751 24.5438 15.9896 2.5101 0.6673 10.1768 4.8499 7.5558 20.8993 32.4452 13.3841 20.4356 4.4424 32.9392 43.9119 34.4678 11.6654 14.5701 2.2248 1.7261 0.9038 0.0477 8.1461 0.0201 1.0332 1.6683 11.4607 0.8379 7.3298 9.9038 2.5830 0.2702 12.9095 2.2601 0.2392 1.8617 2.3673 1.6492 0.3463 4.5546 11.7462 0.4460 0.0597 24.0523 0.0399 0.6481 1.1616 1.9908 11.7038 13.6633 2.9737 2.6553 0.6036 57.6813 0.4996 6.0596 26.4592 34.4026 4.8451 19.9898 4.4986 0.8780 0.9184 25.8141 13.9593 1.2053 178.8852 4.8499 1.9612 45.0786 10.4812 30.3283 0.3096 94.8526 2.2005 35.1010 82.5113 11.1767 0.0072 0.5717 1.5024 8.7725 8.2436 47.8650 0.1284 5.5910 0.8792 10.6832 0.4901 8.7643 2.0625 0.1744 26.5304 13.5065 2.9639 1.2890 1.5127 0.1711 0.5013 5.4294 7.2593 4.9457 5.0623 3.4625 141.4480 1.0974 187.2615 22.4712 469.7297 27.9985 14.4927 193.1008 56.3912 12.1516 344.8738 306.7267 29.7729 12.2857 15.6370 11.0749 20.0173 4.2986 31.5116 68.3500 76.4702 2.5533 116.4347 131.9001 0.2289 122.8562 42.3331 66.9372 99.0209 3.9009 95.4009 55.6564 0.4735 25.7678 24.7079 27.3296 6.7772 14.7583 23.4393 8.2393 14.4188 3.3761 7.7193 41.5153 44.1293 43.2386
2.4048 1.5665 1.1193 0.4833 0.7327 3.4521 5.7702 1.6223 1.5215 0.3515 0.9035 1.2393 1.0749 3.1571 2.1302 2.9562 3.2894 0.4915 2.8028 0.0286 0.5660 0.4595 0.9829 0.0350 2.8045 0.0636 0.7864 1.2388 1.6489 1.6858 0.4274 1.3648 1.7719 0.7858 1.1226 0.7055 2.6929 1.1401 0.9544 1.3784 0.6343 0.8380 3.8332 4.3051 3.2304 1.7903 5.2289 0.3024 2.9775 2.6688 4.7895 6.3994 2.4570 2.0285 2.3153 6.0589 23.4422 4.9912 0.1590 18.8134 3.1417 4.6316 3.3876 2.9892 0.1711 4.5934 10.2048 7.1354 24.0854 4.8354 3.4793 6.7388 4.0815 7.6158 0.5422 0.0515 5.9405 0.1987 1.8724 2.2596 5.0251 4.2364 3.0630 6.6621 21.0580 9.5372 19.8645 9.5407 3.0934 0.8308 15.2526 2.9758 17.9418 4.3207 1.4488 1.0832 0.0037 8.3771 0.0277 0.4768 9.7954 1.8120 22.4856 6.4910 2.1685 2.8472 0.2443 3.2697 0.0986 25.2466 2.4459 10.2045 16.5726 34.3796 35.2070 26.9755 25.3208 3.5425 64.1609 2.7806 13.7752 9.0060 15.6437 10.3102 17.0366 9.6112 0.1269 18.9060 0.3429 3.9767 8.6678 79.0313 0.0072 30.7249 1.1660 1.0062 18.3738 754.9485 0.1772 1.3606 16.8862 1.8693 1.0213 0.4085 6.1260 3.9092 29.1080 3.5674 12.7113 30.9063 47.6914 24.4138 2.0732 22.4423 0.1360 0.5749 1.0069 5.4176 16.6777 1.3083 42.2812 53.9659 1.4413 44.1069 56.2293 236.8915 956.6058 2.1471 1.9459 14.4810 40.6159 49.0797 40.8343 52.7598 23.0788 51.9315 232.6430 11.9942 16.1695 62.9409 77.7742 31.8684 131.9011 71.1805 106.1792 428.3993 152.9938 3.4283 34.6571 116.8227 13.6940 80.0435 81.5388 85.1056 70.1853 69.1504 182.5637 56.6961 132.2633 53.9877 135.3939 66.0753 39.0858 53.2730
0.7499 0.7315 0.7432 0.7157 0.7249 0.6871 0.7189 0.7279 0.7038 0.4523 0.7459 0.7497 0.7134 0.7500 0.6711 0.7132 0.4172 0.6570 0.1409 0.2764 0.5943 0.7488 0.4648 0.6500 0.5591 0.6764 0.5433 0.6221 0.5894 0.6796 0.7447 0.1274 0.6384 0.7484 0.6706 0.6626 0.4606 0.6045 0.7254 0.4728 0.7500 0.0730 0.1116 0.4840 0.6560 0.1714 0.3868 0.3666 0.6048 0.5847 0.4574 0.7426 0.7426 0.6767 0.5811 0.0237 0.1817 0.1209 0.7494 0.0158 0.7449 0.0380 0.4691 0.0840 0.1131 0.1452 0.1950 0.2183 0.1253 0.1699 0.5692 0.3485 0.3961 0.3583 0.1581 0.5813 0.4703 0.5540 0.7331 0.2389 0.3348 0.7231 0.7496 0.7432 0.6135 0.7490 0.1455 0.5747 0.5325 0.6733 0.0580 0.3527 0.4868 0.0585 0.7302 0.6713 0.7172 0.1744 0.4151 0.6018 0.6495 0.6997 0.1706 0.7493 0.7242 0.7057 0.7338 0.6662 0.7499 0.3245 0.7334 0.6019 0.2424 0.1679 0.1855 0.7485 0.7486 0.2558 0.3312 0.3538 0.4878 0.1610 0.7231 0.5429 0.6579 0.5323 0.7465 0.6849 0.6864 0.3721 0.6681 0.2088 0.7484 0.2689 0.7402 0.6956 0.2293 0.2270 0.6498 0.3380 0.3893 0.6286 0.7482 0.3922 0.4368 0.7184 0.3171 0.7482 0.2551 0.7454 0.6434 0.7462 0.5857 0.7490 0.2889 0.2637 0.3070 0.6781 0.4577 0.0284 0.2932 0.3577 0.7436 0.2086 0.1905 0.4385 0.3865 0.6076 0.3556 0.1474 0.3511 0.4291 0.7498 0.4822 0.3423 0.7483 0.0375 0.3724 0.3595 0.7241 0.7326 0.7264 0.7500 0.7499 0.3463 0.0044 0.7488 0.7490 0.7499 0.6206 0.7481 0.3852 0.5470 0.3342 0.7367 0.2028 0.3735 0.1597 0.1747 0.1962 0.1910 0.1752 0.1847 0.2065
0.8571 0.8450 0.8527 0.8343 0.8405 0.8145 0.8365 0.8425 0.8261 0.6229 0.8545 0.8569 0.8328 0.8571 0.8032 0.8326 0.5887 0.7930 0.2470 0.4331 0.7456 0.8563 0.6346 0.7879 0.7172 0.8070 0.7041 0.7670 0.7417 0.8093 0.8536 0.2260 0.7793 0.8561 0.8028 0.7970 0.6307 0.7535 0.8408 0.6420 0.8571 0.1360 0.2009 0.6523 0.7922 0.2926 0.5578 0.5365 0.7538 0.7379 0.6277 0.8523 0.8523 0.8072 0.7351 0.0463 0.3076 0.2157 0.8567 0.0312 0.8538 0.0731 0.6386 0.1550 0.2033 0.2535 0.3263 0.3584 0.2227 0.2905 0.7254 0.5169 0.5675 0.5276 0.2731 0.7352 0.6398 0.7130 0.8460 0.3857 0.5016 0.8393 0.8569 0.8527 0.7605 0.8565 0.2540 0.7299 0.6949 0.8047 0.1096 0.5215 0.6548 0.1105 0.8441 0.8033 0.8353 0.2969 0.5867 0.7514 0.7875 0.8233 0.2915 0.8567 0.8400 0.8275 0.8465 0.7997 0.8571 0.4900 0.8462 0.7515 0.3902 0.2875 0.3130 0.8562 0.8562 0.4074 0.4976 0.5227 0.6557 0.2773 0.8393 0.7037 0.7936 0.6948 0.8549 0.8130 0.8141 0.5423 0.8010 0.3454 0.8561 0.4239 0.8507 0.8205 0.3731 0.3700 0.7877 0.5052 0.5604 0.7719 0.8559 0.5634 0.6080 0.8361 0.4815 0.8559 0.4065 0.8541 0.7830 0.8547 0.7387 0.8565 0.4483 0.4173 0.4697 0.8082 0.6280 0.0551 0.4534 0.5269 0.8530 0.3452 0.3200 0.6096 0.5575 0.7559 0.5247 0.2570 0.5197 0.6005 0.8570 0.6507 0.5100 0.8560 0.0723 0.5427 0.5288 0.8400 0.8457 0.8415 0.8571 0.8571 0.5145 0.0088 0.8564 0.8565 0.8571 0.7659 0.8559 0.5562 0.7072 0.5010 0.8484 0.3372 0.5438 0.2753 0.2974 0.3280 0.3208 0.2982 0.3118 0.3424
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 62 63 64 65 66 67 68 69 70
6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 6 8 7 7 6 8 7 6 6 6 6 6 6 6 6 6 6 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 1 1 1 1
12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 14.00307 14.00307 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 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 1.00783 1.00783 1.00783 1.00783
8023.7100 46754.1356 50780.4310
0.99997 0.00731 -0.00132 -0.00730 0.99997 0.00255 0.00134 -0.00254 1.00000
1
0.01079 0.00185 0.00171
0.22493 0.03860 0.03554
12.03 20.07 28.92 37.31 43.18 61.99 67.42 99.67 106.68 124.30 131.86 154.24 159.37 190.58 228.67 261.90 289.89 332.03 350.25 371.35 391.27 400.01 401.81 423.52 480.83 484.99 501.48 526.41 567.54 575.21 594.68 599.62 601.00 619.93 625.00 639.24 658.29 675.80 696.44 701.81 714.40 775.56 778.74 806.65 830.14 870.61 873.36 875.41 913.12 985.72 1006.20 1009.67 1012.03 1012.44 1046.79 1090.08 1102.59 1111.27 1151.49 1175.10 1191.00 1223.71 1232.36 1251.56 1256.49 1259.37 1267.27 1273.72 1279.69 1292.55 1353.40 1356.82 1366.99 1375.40 1406.60 1410.12 1411.03 1419.37 1420.22 1424.46 1451.31 1457.76 1474.16 1477.97 1526.88 1544.03 1553.81 1566.09 1567.63 1590.83 1593.72 1595.73 1600.40 1608.13 1613.42 1628.37 1634.85 1646.69 1653.65 1658.59 1685.56 1735.12 1742.16 1746.11 1761.32 1764.34 1770.09 1775.03 1784.75 1798.45 1822.79 1866.31 1881.65 1889.04 1902.42 1903.25 1904.47 1919.71 1951.76 1981.63 1997.59 2010.16 2032.84 2044.53 2072.35 2074.12 2085.83 2086.48 2089.97 2090.75 2114.12 2124.96 2135.56 2139.83 2140.22 2142.84 2147.15 2166.80 2188.23 2189.30 2207.79 2211.46 2212.06 2224.60 2252.40 2252.93 2278.25 2342.66 2346.69 2351.40 2351.62 2353.48 2361.99 2364.38 2371.65 2375.64 2376.58 2382.09 2405.83 2411.51 2429.41 2441.03 2481.01 2527.46 2568.75 2605.65 2619.29 2629.63 2816.21 2853.24 4574.87 4587.05 4587.48 4590.91 4597.54 4603.58 4607.51 4610.45 4612.47 4624.01 4625.51 4628.86 4636.59 4639.26 4640.47 4644.29 4651.15 4664.56 4696.57 4697.75 4731.09 4737.79 4823.51 4827.65 4843.94 4857.26 4867.59 4891.32 4895.58 4903.28 4921.05 5500.06 5585.22 5614.44
0.641091
0.669791
0.670735
0.576789
-1522.802870
-1522.774170
-1522.773226
-1522.867172
3.150964D-04
MUNgauss
RevisionA1.9
retrievium
13-Nov-2019
DUDE CCCc1ccc(cc1)c2cc(c3ccccc3n2)C(=O)NNC(=O)NC45CC6CC(C4)CC(C6)C5 C20595909
RHF
6-31G(d)
(6D,10F)
C1
482.268151
|X|Y|Z|
58.824560 35.948560 158.414246
69.450942
31
|36.858105|
|12.467904|36.858105|
|7.475009|12.403008|36.858105|
|4.883358|7.495584|12.592329|36.858105|
|4.040653|5.671506|7.532718|13.684106|36.858105|
|3.171609|4.165697|5.007002|7.882163|13.795208|36.858105|
|2.889951|3.729349|4.402284|6.768025|7.903216|13.678528|36.858105|
|3.161174|4.144339|5.006447|7.889127|6.915223|7.977973|13.703526|36.858105|
|4.023852|5.627833|7.538272|13.721995|7.998441|6.905723|7.893497|13.756842|36.858105|
|2.366578|2.908906|3.275233|4.426269|5.053853|7.635160|12.791411|7.566396|5.028040|36.858105|
|2.123963|2.540624|2.854981|3.671804|3.883841|5.085188|7.518476|6.322069|4.351496|13.348159|36.858105|
|1.853584|2.167309|2.379798|2.926601|3.111332|3.911713|5.048876|4.381147|3.328866|7.902085|14.037875|36.858105|
|1.767811|2.057065|2.219250|2.693809|2.955363|3.741561|4.474404|3.709908|2.937854|6.881207|7.927982|13.353663|36.858105|
|1.565815|1.789294|1.905582|2.244988|2.435561|2.951673|3.358027|2.912667|2.412342|4.552136|5.104206|7.558315|13.413779|36.858105|
|1.497636|1.700356|1.790286|2.082251|2.285810|2.737606|2.981233|2.572547|2.186468|3.849005|3.960080|5.090015|7.905562|14.014860|36.858105|
|1.583981|1.808687|1.894136|2.211852|2.486506|3.014178|3.175497|2.661344|2.276841|4.054378|3.829475|4.517095|6.818981|7.904881|13.461367|36.858105|
|1.783422|2.072156|2.184200|2.612293|3.015319|3.817966|4.007370|3.190846|2.676261|5.341995|4.609793|5.129354|7.812763|6.819000|7.916294|14.028789|36.858105|
|1.913951|2.256682|2.425362|2.991410|3.428940|4.553430|5.220554|3.990358|3.167143|8.306597|7.016622|7.917222|13.539381|7.814098|6.828283|7.910709|13.435254|36.858105|
|2.211995|2.680869|2.926579|3.785702|4.524963|6.694110|7.980412|5.264222|3.995099|14.724021|8.024725|6.852293|7.848264|5.147985|4.597866|5.265527|8.031418|14.064759|53.358707|
|1.680755|1.927571|2.107016|2.509497|2.585000|3.074345|3.802802|3.587675|2.865143|5.020132|7.691693|12.657261|7.468681|6.332411|4.362644|3.660086|3.820027|5.006121|6.051534|36.858105|
|1.565318|1.778808|1.911150|2.234953|2.285147|2.662610|3.208798|3.083283|2.532442|4.061405|5.528032|8.001077|6.231181|6.176413|4.342603|3.518149|3.514420|4.330367|5.130958|15.961771|73.516695|
|1.664672|1.893959|2.104626|2.484731|2.531254|2.949766|3.586519|3.469658|2.833558|4.420669|6.466355|7.893150|5.334803|4.677079|3.531743|3.071993|3.217561|4.055049|5.197109|13.934188|15.089357|53.358707|
|1.538066|1.723904|1.900949|2.188342|2.190645|2.472067|2.921493|2.923274|2.483176|3.393882|4.519347|5.145404|3.951308|3.724370|2.962214|2.581420|2.641444|3.162550|4.088198|7.984813|12.423105|18.880583|53.358707|
|1.387586|1.538649|1.680711|1.905472|1.924820|2.153969|2.468611|2.432541|2.113662|2.847374|3.572239|4.160914|3.505667|3.538990|2.889493|2.474302|2.455678|2.831442|3.575023|5.951395|10.464773|10.769606|18.523332|36.858105|
|1.306290|1.436601|1.556953|1.742197|1.743996|1.923052|2.182591|2.182284|1.928519|2.462085|3.002494|3.398947|2.944202|3.006217|2.530797|2.189026|2.159784|2.442231|3.110848|4.590890|8.593164|7.492459|11.606891|15.865306|73.516695|
|1.357828|1.505270|1.645948|1.868366|1.920610|2.166593|2.442273|2.341371|2.037316|2.853982|3.496536|4.173285|3.699820|3.863537|3.175829|2.681613|2.619070|2.977425|3.677730|5.571938|9.434195|9.527544|11.158638|14.169554|14.927917|53.358707|
|1.235734|1.357253|1.471850|1.648309|1.700284|1.896554|2.088846|1.997175|1.770278|2.399700|2.809028|3.284166|3.096980|3.365901|2.922834|2.474587|2.359780|2.579229|3.172171|4.038131|7.181262|6.222528|6.961785|7.627795|11.644746|17.698122|36.858105|
|1.232072|1.353717|1.469355|1.647197|1.725480|1.935341|2.095689|1.962136|1.743185|2.418982|2.754011|3.216847|3.178114|3.515822|3.154430|2.680321|2.521140|2.696039|3.274275|3.684956|6.347494|5.480531|5.529576|5.123717|7.757595|10.753489|12.383298|36.858105|
|1.124269|1.224660|1.318883|1.460154|1.527305|1.691146|1.803496|1.697292|1.530930|2.042762|2.264528|2.583501|2.604654|2.899300|2.726621|2.362185|2.196493|2.282416|2.794992|2.874375|5.074603|4.152536|4.247120|3.815877|6.266446|6.853841|7.546319|12.401326|36.858105|
|1.079770|1.168370|1.260468|1.383125|1.433808|1.567610|1.666430|1.589583|1.449673|1.851104|2.047564|2.275680|2.240944|2.415680|2.263985|2.009006|1.905541|1.993478|2.498061|2.538213|4.460829|3.762718|3.978345|3.579630|6.127685|6.059288|6.439624|7.598678|12.401761|36.858105|
|1.081634|1.169959|1.261275|1.382894|1.418366|1.545789|1.661831|1.606897|1.464145|1.841135|2.068321|2.297508|2.210617|2.364292|2.172884|1.917133|1.832045|1.943706|2.450274|2.643448|4.720263|3.975827|4.420153|4.182183|7.582936|6.776674|7.563947|6.495305|7.599574|12.404268|36.858105|
|1.176824|1.281173|1.391257|1.538983|1.573301|1.726183|1.882478|1.826396|1.646757|2.102873|2.421481|2.709302|2.530410|2.665030|2.372109|2.076487|2.008737|2.181231|2.755082|3.231514|5.688751|5.090793|5.922774|6.117766|10.781053|10.438566|12.375149|7.621491|6.476617|7.589012|12.393681|36.858105|
|1.038773|1.123013|1.200336|1.314351|1.346111|1.467283|1.580880|1.531346|1.394208|1.757838|1.970824|2.211353|2.153523|2.351247|2.178202|1.900766|1.792452|1.885277|2.355787|2.557334|4.722625|3.710065|4.122915|3.888970|7.346500|6.011348|6.461015|5.385245|6.479471|7.593628|12.397565|7.591619|36.858105|
|1.077954|1.172422|1.250111|1.379500|1.422186|1.566633|1.695839|1.626309|1.465522|1.918676|2.160920|2.489136|2.469042|2.788675|2.579847|2.191026|2.027660|2.123265|2.598991|2.900035|5.465956|4.078663|4.419814|4.191591|7.577496|6.774489|7.563291|6.494587|7.599324|6.475622|7.589168|6.466780|12.397608|36.858105|
|1.076121|1.170832|1.249349|1.379748|1.437769|1.589364|1.700721|1.608374|1.451026|1.929927|2.137238|2.461318|2.511290|2.873651|2.735936|2.331007|2.128499|2.188480|2.656124|2.762575|5.073378|3.849548|3.978187|3.585613|6.124943|6.057949|6.439552|7.598073|12.401855|7.595761|6.475787|5.364542|7.593634|12.404267|36.858105|
|1.172060|1.284394|1.376260|1.534267|1.578492|1.755371|1.932407|1.855075|1.648688|2.220918|2.574216|3.041004|2.942379|3.326091|2.935539|2.439557|2.276176|2.445374|2.972244|3.739525|7.167385|5.312588|5.921924|6.147517|10.766210|10.430253|12.372325|7.619624|6.476153|5.364502|6.467484|7.572791|7.592759|12.394570|7.588777|36.858105|
|17.535538|8.771908|6.775563|4.514792|3.944195|3.079104|2.741641|2.917458|3.624197|2.264535|2.028285|1.780737|1.709201|1.519925|1.461091|1.550504|1.742929|1.856387|2.909844|1.614613|2.667747|2.187093|2.020713|1.346683|2.251230|1.804801|1.211770|1.214924|1.111683|1.069063|1.066340|1.156696|1.021172|1.057887|1.060562|1.145888|0.500000|
|17.552504|8.781649|5.454243|4.050113|3.501362|2.856519|2.629912|2.844124|3.482796|2.200734|1.981601|1.749446|1.682187|1.501320|1.444343|1.529835|1.713176|1.820915|2.835843|1.591230|2.656757|2.129896|1.974970|1.315819|2.210632|1.752456|1.176924|1.173041|1.074850|1.031332|1.033414|1.119970|0.997027|1.035945|1.033855|1.123184|0.301706|0.500000|
|17.535385|8.771582|6.776050|4.513951|3.631290|2.922217|2.740632|3.070856|3.932263|2.262326|2.069926|1.807770|1.706436|1.515565|1.441158|1.509765|1.688341|1.822958|2.844771|1.658590|2.749143|2.253411|2.098720|1.388671|2.333028|1.839140|1.228472|1.218172|1.111627|1.072663|1.079075|1.175918|1.035231|1.069857|1.063625|1.163976|0.301660|0.301710|0.500000|
|8.846818|17.529415|8.848814|6.892448|5.097787|4.010197|3.796672|4.404992|6.004672|2.978608|2.628228|2.235902|2.106450|1.829117|1.728347|1.827270|2.089010|2.292453|3.695674|1.994987|3.290808|2.647828|2.415040|1.575639|2.622474|2.081812|1.374281|1.361177|1.229241|1.171509|1.179131|1.294272|1.136579|1.188745|1.180939|1.307026|0.172798|0.212455|0.210368|0.500000|
|8.847519|17.530191|8.847205|6.894736|6.082623|4.442926|3.799086|3.987548|5.056932|2.983459|2.545092|2.185688|2.111535|1.836675|1.762687|1.900170|2.194130|2.359324|3.840321|1.920326|3.154804|2.542769|2.299125|1.515538|2.508728|2.032755|1.351183|1.356661|1.229293|1.166843|1.162691|1.268962|1.118187|1.172503|1.176765|1.281754|0.210393|0.212469|0.172803|0.304243|0.500000|
|6.887125|8.849129|17.530411|8.917796|7.116396|4.722391|3.964154|4.222090|5.683694|3.040216|2.650503|2.242063|2.115311|1.830852|1.733973|1.843045|2.118373|2.321366|3.778691|1.989554|3.206046|2.723319|2.464234|1.615615|2.658987|2.172603|1.436701|1.445437|1.302618|1.247252|1.240898|1.362843|1.176585|1.222413|1.228514|1.338389|0.204407|0.140628|0.169443|0.173784|0.211719|0.500000|
|6.885049|8.849114|17.531838|8.915193|5.661473|4.212431|3.962249|4.729421|7.149979|3.035607|2.745320|2.296726|2.110465|1.823566|1.701404|1.776433|2.023474|2.257833|3.641093|2.073276|3.349631|2.854007|2.608988|1.689231|2.795923|2.233027|1.464679|1.450991|1.302621|1.253012|1.261019|1.394442|1.198150|1.240943|1.233339|1.367359|0.169353|0.140611|0.204352|0.211818|0.173770|0.303894|0.500000|
|4.158693|5.578817|6.989410|8.908254|17.697438|8.963910|5.638017|4.972409|5.668263|4.123784|3.269178|2.728053|2.655194|2.239975|2.141794|2.352635|2.822003|3.089229|5.340775|2.301485|3.657631|3.077564|2.695067|1.767155|2.861141|2.419250|1.593584|1.630321|1.457029|1.370643|1.347803|1.481931|1.278927|1.347922|1.370784|1.482053|0.118225|0.100141|0.100885|0.130868|0.177016|0.212666|0.143435|0.500000|
|2.825016|3.557363|4.087356|5.624985|8.932279|17.754372|8.935841|5.669613|4.971879|7.107020|4.737494|3.861329|3.906288|3.101163|2.944355|3.348157|4.371731|5.026986|10.153126|3.001519|4.641647|3.886688|3.247350|2.113767|3.344648|2.944413|1.911888|1.982788|1.737473|1.597749|1.558999|1.729599|1.479828|1.588349|1.629382|1.769978|0.077600|0.071872|0.072021|0.094263|0.107797|0.111970|0.097017|0.216352|0.500000|
|2.820737|3.547029|4.098490|5.642939|4.974714|5.651189|8.878800|17.720166|8.978442|6.944374|6.942181|4.759983|3.822668|3.009946|2.601605|2.622301|3.075823|3.889129|6.569945|4.024641|6.147549|5.265689|4.447102|2.652050|4.235149|3.396725|2.100719|2.027658|1.743980|1.635112|1.671475|1.916288|1.599271|1.699956|1.661745|1.959615|0.072011|0.071648|0.077569|0.107146|0.093851|0.097411|0.112582|0.107866|0.124202|0.500000|
|4.125505|5.506709|6.985555|8.915080|5.665432|4.967693|5.635047|8.949830|17.699463|4.101324|3.795710|3.002431|2.633924|2.208933|2.001796|2.057930|2.368027|2.765009|4.549165|2.682541|4.280230|3.647158|3.276919|2.050116|3.365355|2.655640|1.700180|1.657004|1.462464|1.395374|1.419902|1.596065|1.355066|1.415747|1.391450|1.590132|0.100456|0.099171|0.117474|0.173029|0.129303|0.143981|0.214239|0.124265|0.107823|0.218134|0.500000|
|2.181782|2.602430|2.971934|3.807824|3.820459|4.719221|6.967566|6.980459|4.749107|8.796427|17.755651|9.001698|5.624601|4.116557|3.290001|3.157196|3.660930|5.030771|7.796117|7.110457|9.254292|9.343448|6.722008|3.712014|5.583739|4.753711|2.771948|2.653017|2.187462|2.015313|2.064358|2.441820|1.955274|2.110163|2.057862|2.518762|0.057562|0.056151|0.059847|0.075280|0.070909|0.075819|0.081254|0.088529|0.116847|0.238489|0.118203|0.500000|
|1.482199|1.680106|1.789638|2.085621|2.221224|2.634378|3.010450|2.702726|2.260452|3.927488|4.634060|6.880423|8.820816|17.771444|9.012919|5.627173|4.928340|5.591823|5.664706|7.123009|13.804140|6.996540|5.729556|4.131765|6.187724|6.175480|3.918778|3.966740|3.208551|2.638462|2.623159|2.991241|2.646096|3.220562|3.248370|3.992080|0.039919|0.039502|0.040124|0.047852|0.047507|0.047708|0.048063|0.056787|0.075481|0.079012|0.058350|0.109319|0.500000|
|1.381731|1.552615|1.626108|1.863605|2.025301|2.372212|2.554529|2.254780|1.950255|3.171013|3.294292|4.118021|5.624555|9.021049|17.723248|8.827613|5.651083|4.929325|4.969500|3.802175|6.990889|4.314904|3.755752|2.774489|4.392429|4.182568|2.932294|3.190999|2.835059|2.321815|2.215795|2.374122|2.259945|2.724125|2.928111|3.037892|0.037509|0.037150|0.037038|0.043823|0.044600|0.043882|0.043144|0.053165|0.070341|0.063589|0.050141|0.078735|0.217220|0.500000|
|1.505457|1.703346|1.767585|2.032315|2.282265|2.702937|2.774116|2.360883|2.064947|3.374455|3.163909|3.599514|4.924132|5.646496|8.829322|17.718730|9.013949|5.624777|5.783117|3.045362|5.283150|3.579720|3.086840|2.203122|3.516017|3.248093|2.252749|2.456399|2.222709|1.898711|1.799259|1.917250|1.792954|2.057840|2.210310|2.240820|0.041100|0.040597|0.039772|0.047621|0.049929|0.048068|0.046001|0.060942|0.083662|0.064266|0.052170|0.074677|0.124177|0.213931|0.500000|
|1.862103|2.169509|2.267630|2.702366|3.194350|4.030206|3.990167|3.144303|2.696375|4.948108|4.040533|4.191347|5.609243|4.926314|5.611678|8.941008|17.743875|8.902274|10.138329|3.222562|5.286557|3.818476|3.194440|2.182837|3.452136|3.145595|2.103439|2.246182|1.988495|1.748777|1.678035|1.825060|1.637557|1.828992|1.921572|2.024785|0.050777|0.049807|0.048496|0.060269|0.064780|0.061502|0.057606|0.084607|0.133431|0.082140|0.065793|0.091923|0.107147|0.123738|0.214573|0.500000|
|1.769714|2.023953|2.289939|2.734622|2.789624|3.267941|4.006850|3.864473|3.128879|4.854716|7.146980|7.483264|5.069267|4.233860|3.305281|2.982152|3.210240|4.090683|5.490639|9.273352|10.857407|26.072453|12.878860|6.152575|8.141822|7.897717|4.045895|3.730599|2.869350|2.638780|2.741379|3.461514|2.510106|2.704119|2.605585|3.387132|0.047574|0.045838|0.048925|0.057382|0.055251|0.060618|0.063475|0.068682|0.087070|0.118277|0.081370|0.224722|0.122170|0.081680|0.071207|0.078972|0.500000|
|1.541711|1.725741|1.889098|2.163682|2.135196|2.385539|2.837112|2.912202|2.484921|3.240726|4.278017|4.733155|3.653799|3.439855|2.768935|2.430959|2.492014|2.968442|3.880170|7.143134|12.341251|12.939754|25.961548|9.602524|14.381614|8.236448|4.277390|3.435779|2.758222|2.611725|2.927092|3.776051|2.806292|2.987522|2.654394|3.908868|0.041095|0.040518|0.043098|0.049756|0.046766|0.049586|0.053203|0.053456|0.063303|0.092344|0.067883|0.132860|0.107537|0.071974|0.059663|0.061928|0.199955|0.500000|
|1.429894|1.595919|1.755816|2.015122|2.095067|2.398490|2.713758|2.551355|2.192546|3.240867|4.018070|4.913411|4.330235|4.441132|3.562555|3.001115|2.957342|3.420894|4.182186|6.407807|9.945000|11.245078|10.643739|9.510830|10.870257|26.117697|9.015107|7.815144|4.813190|4.107250|4.254897|5.926494|3.764138|4.280268|4.130188|5.995412|0.038848|0.037551|0.039370|0.044898|0.044133|0.047380|0.048335|0.053695|0.066973|0.074944|0.057633|0.109115|0.142285|0.093548|0.073086|0.071727|0.194704|0.156954|0.500000|
|1.268659|1.401756|1.517209|1.713644|1.810726|2.056040|2.232296|2.060343|1.812491|2.631995|2.993894|3.611800|3.699684|4.279253|3.823171|3.141127|2.890912|3.073248|3.625564|4.074841|7.038225|5.760243|5.499280|4.856591|7.201066|9.842492|8.810363|17.496867|8.798630|5.509056|4.852677|5.520593|4.457162|5.740605|6.927748|6.955624|0.034709|0.033597|0.034690|0.039193|0.039219|0.041385|0.041357|0.047447|0.058998|0.059013|0.047517|0.078184|0.136309|0.108227|0.079093|0.070281|0.107485|0.095360|0.221127|0.500000|
|1.272859|1.398829|1.531166|1.718207|1.805230|2.023273|2.178486|2.032874|1.810703|2.494805|2.825601|3.223470|3.140253|3.338123|2.996032|2.618062|2.516802|2.713404|3.351867|3.600933|5.959873|5.561248|5.500233|4.846919|7.205072|9.848482|8.812058|17.500198|8.797175|6.927504|5.741200|6.958168|4.457284|4.852486|5.508620|5.520262|0.034980|0.033519|0.034975|0.038881|0.038887|0.042035|0.042030|0.047442|0.057646|0.057939|0.047660|0.076094|0.100968|0.082266|0.066561|0.062828|0.109628|0.093584|0.218020|0.301856|0.500000|
|1.116285|1.214850|1.307472|1.445556|1.523469|1.687211|1.779119|1.659832|1.502426|2.010368|2.190006|2.479515|2.550059|2.839494|2.741028|2.409021|2.227668|2.276889|2.784584|2.673031|4.666169|3.812345|3.791356|3.261204|5.316903|5.689916|5.503285|8.856132|17.530192|8.813817|5.514664|4.859468|4.848988|5.514465|8.813433|4.859067|0.030765|0.029654|0.030568|0.033738|0.034001|0.036037|0.035726|0.040613|0.048564|0.046948|0.039695|0.058267|0.085151|0.079510|0.063654|0.056340|0.074444|0.068799|0.116773|0.213666|0.213621|0.500000|
|1.019442|1.098218|1.179098|1.285955|1.332757|1.448852|1.529332|1.460790|1.341287|1.686524|1.843256|2.033147|2.021954|2.184291|2.082907|1.865403|1.762345|1.821758|2.289149|2.236297|3.960607|3.259978|3.424725|3.004262|5.239711|4.870557|4.822868|5.510938|8.803322|17.515685|8.786660|5.502538|6.914573|5.723018|6.929818|4.443607|0.028076|0.027117|0.028122|0.030564|0.030505|0.032470|0.032542|0.035560|0.041087|0.041610|0.035930|0.050327|0.065704|0.059847|0.049519|0.045247|0.063773|0.063587|0.092969|0.123188|0.141431|0.212337|0.500000|
|1.104394|1.194030|1.295434|1.420220|1.474142|1.607915|1.701091|1.621000|1.483255|1.877025|2.067571|2.267462|2.217615|2.345212|2.194558|1.975207|1.896643|1.992390|2.522291|2.497952|4.300250|3.768541|3.947556|3.462864|5.820363|5.842617|5.690548|6.911279|8.791810|17.511166|8.793239|6.911274|5.505993|4.840898|5.507012|4.439365|0.030458|0.029213|0.030496|0.033133|0.033085|0.035744|0.035806|0.039216|0.045541|0.046094|0.039604|0.056773|0.070053|0.061685|0.051789|0.048615|0.074943|0.071413|0.113402|0.141207|0.207429|0.212971|0.302869|0.500000|
|1.047057|1.126894|1.214850|1.322975|1.350338|1.459298|1.561916|1.521117|1.397930|1.708610|1.906350|2.081816|1.992254|2.100073|1.940817|1.737159|1.673926|1.774388|2.263866|2.370391|4.212723|3.581321|4.002400|3.662987|6.802340|5.607505|5.508580|4.865938|5.516667|8.823703|17.531116|8.849463|8.820179|5.512138|4.852041|4.851422|0.028707|0.027786|0.029096|0.031515|0.031026|0.033256|0.033863|0.035733|0.040743|0.043896|0.037836|0.053302|0.063892|0.054714|0.045496|0.042950|0.069576|0.074751|0.099839|0.106904|0.128403|0.123417|0.212299|0.212947|0.500000|
|1.211939|1.318866|1.443008|1.595919|1.632325|1.786759|1.940906|1.882502|1.702927|2.150890|2.468610|2.711769|2.509189|2.582814|2.300277|2.045167|2.004731|2.188590|2.798819|3.173697|5.404154|5.156168|5.893848|5.675672|9.459530|9.622826|8.836837|6.983460|5.746346|6.932367|8.781565|17.514160|5.503284|4.845749|4.454358|5.509575|0.033180|0.031913|0.033678|0.036860|0.036215|0.039412|0.040251|0.042743|0.049689|0.054577|0.045782|0.069670|0.078854|0.063132|0.052400|0.050884|0.100894|0.102564|0.165052|0.142295|0.210468|0.128671|0.141380|0.207828|0.212505|0.500000|
|1.171030|1.272756|1.379437|1.521391|1.540642|1.681249|1.845085|1.814140|1.639604|2.046550|2.372566|2.632126|2.419075|2.522438|2.232296|1.960598|1.908365|2.084622|2.654955|3.194618|5.718542|5.056306|6.227078|6.623211|13.451760|9.461175|8.828767|5.531094|4.845698|5.507263|8.783458|17.601911|6.899446|5.703964|4.439955|6.894803|0.031870|0.030982|0.032622|0.035863|0.034878|0.037374|0.038597|0.040182|0.046407|0.053349|0.044486|0.067388|0.078857|0.061868|0.050261|0.048292|0.094471|0.113663|0.145640|0.123538|0.142239|0.106861|0.123011|0.141393|0.213230|0.302628|0.500000|
|0.984066|1.059555|1.128517|1.229066|1.260111|1.366994|1.461040|1.414250|1.296114|1.613526|1.785321|1.985498|1.955197|2.134431|2.013308|1.775516|1.669595|1.736080|2.175733|2.248940|4.142482|3.224381|3.517081|3.183417|5.957902|4.844028|4.830210|4.451800|5.717561|6.914710|8.793354|5.505632|17.510829|8.792532|6.914161|5.505922|0.026923|0.026289|0.027226|0.029739|0.029348|0.030808|0.031263|0.033419|0.038397|0.040822|0.035015|0.049076|0.065824|0.058407|0.047001|0.042662|0.061329|0.067197|0.087479|0.106021|0.106023|0.127611|0.207198|0.141288|0.212651|0.123016|0.141077|0.500000|
|1.032720|1.115013|1.189977|1.300196|1.322334|1.435886|1.554546|1.520131|1.386366|1.720119|1.938640|2.162887|2.079086|2.247910|2.066123|1.808403|1.717209|1.818085|2.287088|2.531322|4.728577|3.682197|4.203053|3.990087|8.008972|5.776728|5.725055|4.461054|4.847416|5.508802|8.798356|6.926245|17.525555|8.798862|5.508923|6.927739|0.028130|0.027553|0.028669|0.031447|0.030744|0.032296|0.033116|0.034809|0.039973|0.044375|0.037639|0.053920|0.070419|0.059193|0.047282|0.043657|0.068797|0.081046|0.098702|0.106230|0.106234|0.106696|0.141255|0.123122|0.212885|0.141190|0.206904|0.302715|0.500000|
|1.041374|1.130663|1.197943|1.317912|1.355985|1.489581|1.610925|1.549525|1.399982|1.817787|2.034153|2.338739|2.340163|2.664934|2.497378|2.120286|1.948386|2.022888|2.473185|2.705367|5.208930|3.711703|4.001991|3.673823|6.795674|5.605447|5.508234|4.865496|5.516600|4.852046|5.512226|4.851022|8.820385|17.532122|8.823616|8.849953|0.028345|0.027895|0.028699|0.031925|0.031442|0.032479|0.033014|0.035738|0.041920|0.045054|0.037663|0.055076|0.085537|0.074235|0.055724|0.048931|0.068239|0.077011|0.100567|0.128390|0.106901|0.123413|0.127929|0.106668|0.123412|0.106773|0.127680|0.212627|0.212903|0.500000|
|1.097740|1.198560|1.274976|1.413991|1.481566|1.648872|1.765223|1.655673|1.485765|2.025313|2.234259|2.613172|2.733899|3.233583|3.128081|2.607570|2.329632|2.367196|2.823266|2.901435|5.381697|3.922084|3.947438|3.472319|5.816579|5.840861|5.690815|6.910855|8.791952|5.507030|4.841122|4.439628|5.506135|8.793812|17.511217|6.911343|0.030025|0.029341|0.030039|0.033612|0.033593|0.034782|0.034806|0.039224|0.047210|0.047446|0.039406|0.058940|0.102506|0.095430|0.068790|0.057897|0.073280|0.073385|0.114487|0.207447|0.141198|0.212954|0.141527|0.123080|0.106670|0.106065|0.105725|0.141278|0.123128|0.212951|0.500000|
|1.016332|1.100293|1.169864|1.283209|1.335987|1.466219|1.556078|1.475535|1.342375|1.746331|1.908780|2.164177|2.216825|2.510624|2.438582|2.118597|1.936886|1.969176|2.410678|2.387409|4.377108|3.316717|3.424586|3.007791|5.237844|4.869786|4.822712|5.510713|8.803418|6.929514|5.722661|4.443379|6.913849|8.786147|17.515483|5.502370|0.027873|0.027178|0.027907|0.030783|0.030737|0.032034|0.032088|0.035563|0.041791|0.042184|0.035842|0.051193|0.077280|0.072789|0.056585|0.049107|0.063155|0.064390|0.093317|0.141441|0.123179|0.212342|0.208198|0.141526|0.127919|0.106061|0.105754|0.207153|0.141246|0.212290|0.302870|0.500000|
|1.166189|1.275923|1.364443|1.516657|1.545537|1.708668|1.892934|1.842728|1.641455|2.157204|2.518785|2.940324|2.780245|3.075729|2.694747|2.265034|2.138677|2.316986|2.851992|3.695137|7.272551|5.277624|6.225076|6.660328|13.419523|9.452880|8.826527|5.530056|4.845594|4.440200|5.705046|6.894607|6.901544|8.784800|5.507402|17.601632|0.031569|0.031071|0.032283|0.036220|0.035228|0.036705|0.037835|0.040184|0.047435|0.054584|0.044313|0.069523|0.102084|0.076725|0.057792|0.053127|0.092458|0.118492|0.146966|0.142191|0.123532|0.106856|0.105767|0.105723|0.127703|0.141125|0.205974|0.141104|0.207000|0.213262|0.141395|0.123014|0.500000|
|1.203201|1.324955|1.414998|1.587120|1.642330|1.843153|2.037377|1.937221|1.706736|2.381706|2.766800|3.368575|3.341098|3.949850|3.450006|2.770027|2.535805|2.715212|3.226233|4.153417|8.229601|5.570552|5.894624|5.719019|9.447357|9.614779|8.834929|6.977973|5.742714|4.452847|4.845294|5.509631|5.502993|8.778465|6.927248|17.516307|0.032625|0.032080|0.033069|0.037521|0.036881|0.038138|0.038851|0.042751|0.051866|0.056855|0.045480|0.073781|0.137774|0.100724|0.070115|0.061779|0.096961|0.108682|0.168405|0.210234|0.142236|0.128593|0.106031|0.106031|0.106769|0.123576|0.141156|0.122996|0.141217|0.212470|0.207651|0.141308|0.302833|0.500000|
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