Version2.0
2020-01-23T07:50:57Z
10.1021/jm300687e
Gaussian16
RevisionB.01
PWARBURT
28-Sep-2019
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE Cc1ccc(c(c1)C)[C@H](C(=O)NC2CCCCC2)N(c3ccccc3Cl)C(=O)c4c(cccc4O)O C36545165
RHF
6-31G(d)
(6D,7F)
Cc1ccc(c(c1)C)[C@H](C(=O)NC2CCCCC2)N(c3ccccc3Cl)C(=O)c4c(cccc4O)O
C01[X(C29H31Cl1N2O4)]
195
C1
606
O=C([C@H](N(C(=O)c1c(O)cccc1O)c1ccccc1Cl)c1ccc(cc1C)C)NC1CCCCC1
O=C([C@H](N(C(=O)c1c(O)cccc1O)c1ccccc1Cl)c1ccc(cc1C)C)NC1CCCCC1
Cc1ccc([C@@H](N(C(=O)c2c(O)cccc2O)c3ccccc3Cl)C(=O)NC4CCCCC4)c(C)c1
InChIKey=MQJNMRWNVRVTHB-HHHXNRCGSA-N
InChI=1S/C29H31ClN2O4/c1-18-15-16-21(19(2)17-18)27(28(35)31-20-9-4-3-5-10-20)32(23-12-7-6-11-22(23)30)29(36)26-24(33)13-8-14-25(26)34/h6-8,11-17,20,27,33-34H,3-5,9-10H2,1-2H3,(H,31,35)/t27-/m1/s1
InChI=1/C29H31ClN2O4/c1-18-15-16-21(19(2)17-18)27(28(35)31-20-9-4-3-5-10-20)32(23-12-7-6-11-22(23)30)29(36)26-24(33)13-8-14-25(26)34/h6-8,11-17,20,27,33-34H,3-5,9-10H2,1-2H3,(H,31,35)/t27-/m1/s1/f/h31H
Cc1ccc(c(c1)C)[C@H](C(=O)NC2CCCCC2)N(c3ccccc3Cl)C(=O)c4c(cccc4O)O
C01[X(C29H31Cl1N2O4)]
195
C01
606
O=C([C@H](N(C(=O)c1c(O)cccc1O)c1ccccc1Cl)c1ccc(cc1C)C)NC1CCCCC1
O=C([C@H](N(C(=O)c1c(O)cccc1O)c1ccccc1Cl)c1ccc(cc1C)C)NC1CCCCC1
Cc1ccc([C@@H](N(C(=O)c2c(O)cccc2O)c3ccccc3Cl)C(=O)NC4CCCCC4)c(C)c1
InChIKey=MQJNMRWNVRVTHB-HHHXNRCGSA-N
InChI=1S/C29H31ClN2O4/c1-18-15-16-21(19(2)17-18)27(28(35)31-20-9-4-3-5-10-20)32(23-12-7-6-11-22(23)30)29(36)26-24(33)13-8-14-25(26)34/h6-8,11-17,20,27,33-34H,3-5,9-10H2,1-2H3,(H,31,35)/t27-/m1/s1
InChI=1/C29H31ClN2O4/c1-18-15-16-21(19(2)17-18)27(28(35)31-20-9-4-3-5-10-20)32(23-12-7-6-11-22(23)30)29(36)26-24(33)13-8-14-25(26)34/h6-8,11-17,20,27,33-34H,3-5,9-10H2,1-2H3,(H,31,35)/t27-/m1/s1/f/h31H
4299.9142158871
-1984.1132811
1-A
17644.9748
134
472
606
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|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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10.89399
-5.4145 4.4854 2.3932
7.4272
|XX|YY|ZZ|XY|XZ|YZ|
-207.4885 -214.6247 -213.2025 2.0828 10.7141 0.2808
|XX|YY|ZZ|XY|XZ|YZ|
4.2834 -2.8528 -1.4306 2.0828 10.7141 0.2808
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-43.8993 61.8778 25.2219 -7.4625 -36.7307 40.5792 -4.7706 35.5761 -2.3330 -0.3972
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
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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
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13.8676 22.5692 25.2884 34.5522 34.9285 38.9308 44.2372 55.2028 67.8393 74.9495 77.8974 87.1941 104.6113 120.7169 132.3017 148.5621 159.2457 169.8497 173.3565 186.5479 191.6919 221.4280 223.3000 238.8662 246.8407 260.1167 267.0736 306.0870 318.5357 327.2431 359.6700 361.0954 374.2041 383.6569 395.8920 419.5707 458.7762 473.0432 473.7569 488.5486 492.6436 500.4735 511.1490 524.7430 529.1570 532.6827 545.2034 568.7995 572.9073 573.8412 583.2556 602.8037 609.9400 619.1497 629.1988 659.7874 679.3961 685.2721 707.8396 711.5717 735.7965 781.4154 789.5155 793.6211 813.0650 829.4694 839.2432 858.0189 863.4207 864.5567 876.3506 888.6956 909.2354 914.3359 916.9910 936.0377 964.8317 967.0603 974.0519 996.5497 996.5732 1007.6767 1011.5055 1025.3959 1057.8942 1075.5814 1088.7002 1097.7924 1102.1777 1108.7203 1111.9986 1114.4447 1127.4438 1131.2554 1140.7990 1144.0877 1147.1821 1163.6281 1168.2550 1172.1880 1173.8486 1190.5217 1200.3401 1203.2145 1211.6872 1213.3022 1221.8327 1247.2248 1251.8838 1255.9324 1286.9427 1305.7162 1310.4365 1316.4807 1324.3042 1336.4036 1366.8808 1368.2398 1374.3917 1390.0354 1396.6093 1400.6663 1403.2250 1413.3415 1422.4966 1437.5594 1464.7730 1470.5056 1478.2010 1483.4250 1497.2347 1505.5233 1510.2996 1524.6421 1527.5534 1533.2436 1539.4550 1558.0926 1564.1770 1569.3064 1573.4208 1608.0577 1630.0576 1633.6876 1635.5261 1635.6382 1638.8713 1640.5843 1641.7821 1642.8354 1647.3994 1652.3435 1658.8617 1661.0347 1682.5421 1720.5704 1768.4930 1771.1767 1775.4564 1797.6025 1820.0685 1821.5372 1881.6124 1893.3244 3173.2561 3185.3584 3188.4191 3191.7253 3194.2150 3204.8134 3206.8460 3233.9968 3237.9525 3239.1008 3244.0501 3257.4295 3261.6181 3274.3023 3276.9654 3282.5453 3313.7319 3333.1774 3353.8637 3359.3589 3366.5992 3371.0741 3385.9869 3388.5598 3400.3192 3405.1557 3405.8453 3435.4079 3871.6594 3951.7415 4031.8351
4.8835 3.2425 1.0613 4.1896 4.4523 4.9661 6.0032 5.5423 4.8578 7.2188 4.9512 7.1927 5.7296 6.8279 5.6937 5.1353 4.2804 1.4618 2.5961 5.1032 5.1792 7.6732 2.8513 3.4418 1.8723 4.9351 6.0664 3.1817 4.7409 5.5703 2.8820 2.9264 6.2694 4.6795 5.9354 6.4221 6.1604 3.8693 2.7458 3.1456 3.2848 2.7332 3.1574 2.5122 2.3174 2.9538 3.6768 2.6118 4.6355 4.2593 1.8929 3.2438 2.8576 3.6435 2.8489 6.1282 4.2274 1.6389 2.5823 2.8225 4.8491 5.4815 6.3050 3.3930 4.3038 4.5097 3.3460 2.4907 1.5952 1.4347 2.0913 2.8029 3.6149 2.4399 3.0241 1.8011 1.4692 1.9214 2.0552 1.3442 1.4207 1.9780 1.8885 4.4419 2.5580 3.3371 1.4358 1.3817 1.4962 1.3115 1.8422 1.7961 1.7414 2.4564 3.2692 3.5918 1.5008 2.2758 1.5581 1.5689 1.2879 2.7388 3.1284 2.3541 2.8761 3.0272 2.7389 2.0167 2.0685 2.1211 2.3308 1.5299 2.0207 1.3363 1.4361 1.8644 1.6758 3.5626 1.8526 1.7281 2.0382 1.4876 1.2503 1.3420 1.8505 1.5157 1.3531 2.2906 1.5150 2.2693 1.4422 1.4073 1.5079 1.4266 1.5014 1.5873 1.7523 1.5591 1.4915 1.5154 1.4801 2.1212 1.0869 1.0714 1.0568 1.0936 1.1270 1.1080 2.4415 1.0933 1.1565 3.1064 1.1101 2.5855 2.3847 2.0692 5.6113 5.7680 5.4705 5.6005 5.5834 5.9502 10.6637 8.9654 1.0709 1.0705 1.0753 1.0666 1.0625 1.0391 1.0484 1.0946 1.0937 1.0971 1.1022 1.0929 1.0994 1.0911 1.0905 1.1038 1.1015 1.0827 1.0914 1.0898 1.0897 1.0885 1.0947 1.0947 1.0934 1.0964 1.0962 1.0942 1.0785 1.0693 1.0661
0.0006 0.0010 0.0004 0.0029 0.0032 0.0044 0.0069 0.0100 0.0132 0.0239 0.0177 0.0322 0.0369 0.0586 0.0587 0.0668 0.0640 0.0248 0.0460 0.1046 0.1121 0.2217 0.0838 0.1157 0.0672 0.1967 0.2549 0.1756 0.2834 0.3515 0.2197 0.2248 0.5172 0.4058 0.5481 0.6661 0.7639 0.5101 0.3631 0.4424 0.4697 0.4034 0.4860 0.4076 0.3823 0.4938 0.6439 0.4979 0.8964 0.8264 0.3794 0.6945 0.6264 0.8229 0.6645 1.5718 1.1496 0.4535 0.7623 0.8420 1.5468 1.9720 2.3156 1.2591 1.6763 1.8281 1.3885 1.0804 0.7006 0.6318 0.9463 1.3042 1.7608 1.2018 1.4982 0.9298 0.8058 1.0587 1.1489 0.7865 0.8313 1.1834 1.1384 2.7517 1.6867 2.2746 1.0026 0.9811 1.0709 0.9498 1.3422 1.3143 1.3042 1.8521 2.5067 2.7700 1.1637 1.8156 1.2529 1.2701 1.0456 2.2871 2.6557 2.0080 2.4879 2.6256 2.4091 1.8484 1.9100 1.9713 2.2745 1.5368 2.0444 1.3645 1.4839 1.9618 1.8447 3.9295 2.0618 1.9673 2.3424 1.7195 1.4505 1.5794 2.2062 1.8455 1.7105 2.9183 1.9504 2.9422 1.9048 1.8794 2.0265 1.9538 2.0642 2.1986 2.4468 2.2300 2.1500 2.1989 2.1589 3.2317 1.7015 1.6847 1.6656 1.7238 1.7834 1.7570 3.8774 1.7385 1.8492 4.9969 1.7998 4.2029 3.9775 3.6090 10.3401 10.6610 10.1601 10.6626 10.8974 11.6321 22.2442 18.9352 6.3536 6.3998 6.4406 6.4020 6.3873 6.2878 6.3521 6.7448 6.7561 6.7816 6.8340 6.8322 6.8908 6.8919 6.8992 7.0076 7.1267 7.0870 7.2333 7.2464 7.2766 7.2884 7.3946 7.4057 7.4487 7.4901 7.4921 7.6086 9.5251 9.8384 10.2107
0.1812 0.0499 0.1159 0.3580 0.1867 0.2361 0.2763 0.1511 0.6710 0.1443 2.1625 1.9207 1.3746 4.3276 1.8520 0.9134 1.0949 0.0466 0.1403 0.8156 0.8772 4.7471 1.9844 7.5550 0.3656 0.5611 1.3658 2.8378 5.8822 1.1749 2.0231 2.4243 3.2563 3.1685 3.7521 0.9797 5.6704 6.7583 5.1873 6.0956 2.8826 4.6833 4.2290 45.0411 22.4494 15.9931 13.3321 29.8806 8.1187 23.7941 80.5080 15.1965 18.2932 1.9834 13.3105 14.0756 9.9739 101.8230 76.1363 55.6158 19.9815 5.8886 10.7896 18.1412 7.1931 25.9405 28.0606 6.1112 23.3556 14.5097 25.8522 10.1868 37.9852 20.1841 44.0237 34.2033 0.9497 7.8485 4.0404 2.4594 0.4904 5.6905 5.5321 7.3961 3.8249 7.0811 1.4807 2.0582 2.3787 1.3957 0.6689 1.7049 4.1384 6.6977 0.5766 18.4798 0.1950 5.6450 3.1828 7.6203 0.4515 3.0876 7.5910 3.5041 105.7226 92.8740 38.1723 25.6514 1.1084 29.9048 6.2532 35.6760 5.2060 3.3831 0.0491 5.2240 144.8484 11.8894 81.3851 30.7769 155.7228 6.4914 8.8564 14.6567 5.6479 2.1717 20.8338 149.8391 28.9754 344.1012 18.3968 4.3382 109.7296 2.1316 18.3426 2.7833 126.9260 3.1609 1.2297 2.6228 1.3653 24.5826 0.0061 1.3983 5.0478 6.0162 16.6784 2.7475 45.1717 6.5174 36.1862 109.0351 2.5477 74.2150 16.4667 567.5512 2.2454 1.5406 144.7448 6.4258 14.3615 219.0207 476.6214 366.3298 18.9824 18.7348 17.4817 9.5788 57.5041 40.2945 24.3362 74.4294 78.6895 36.7426 74.6097 22.6523 27.9776 23.2577 34.4674 21.6254 12.9840 13.0250 24.8570 16.0362 19.2266 3.9947 16.0715 17.6660 8.6178 10.0931 8.5511 0.0809 46.2203 678.7821 217.9693
0.5759 0.8799 0.2629 1.9371 2.4500 2.7874 2.2500 5.0352 2.1952 2.4147 0.6194 1.1061 0.9896 0.9867 0.6841 0.7179 0.6585 1.1967 1.3071 3.6767 1.3682 0.9580 1.7603 0.5801 0.0600 1.9626 0.8946 0.4832 1.8672 7.2494 2.6839 3.1023 0.6633 1.0211 1.9094 0.7367 3.9884 0.8583 1.7641 2.4039 3.2727 2.2016 2.2254 1.3213 2.2320 0.5827 1.2275 2.9649 3.7801 3.0106 1.5801 4.5827 2.6281 3.2816 0.4045 10.9229 0.8056 1.3517 3.0700 0.4486 7.1918 18.6013 2.8294 1.8045 1.5377 3.9721 8.5046 3.6425 2.3158 1.2332 7.6019 2.0916 2.6964 4.5368 0.2422 1.1506 1.1004 1.2186 0.5062 2.0398 2.7310 2.1995 1.4697 10.4505 0.4758 6.7244 0.5901 1.4928 2.6253 0.6221 1.9800 17.8623 4.0843 6.1506 4.0783 19.1271 8.7431 8.3843 1.0708 0.5170 0.7288 4.0853 2.4449 1.2061 7.7118 4.0470 2.9918 3.2543 2.0735 6.1623 3.9453 1.3253 3.0128 0.9077 4.4441 5.6189 8.4908 10.4461 1.6291 11.5321 2.9933 16.8984 15.6823 13.2346 10.1317 0.8855 6.2871 32.5187 5.1417 1.8855 3.2897 3.1049 6.5223 0.4861 1.6169 4.8456 8.5688 9.4371 10.9929 5.9269 11.0269 0.8281 26.1659 13.5349 15.9502 27.2025 10.7749 0.9798 1.8061 0.8062 10.9157 2.2596 2.0306 1.6623 2.9412 3.5149 9.1553 7.7301 12.5982 25.3394 53.9398 15.7188 26.8740 14.1697 24.6265 19.5747 173.8336 53.9873 22.8798 145.2770 138.1812 54.5821 120.3527 174.0325 97.1362 58.5926 87.3226 68.5800 34.9688 66.9157 54.4575 25.5399 90.6151 59.8116 98.1326 61.1839 73.0385 118.2964 77.2551 193.7918 141.2269 70.6824 43.9122 144.4959 41.8536
0.7483 0.7486 0.7465 0.7481 0.7463 0.6677 0.7497 0.7333 0.7459 0.7449 0.5451 0.5760 0.7386 0.7492 0.7440 0.7438 0.3548 0.2388 0.2103 0.6829 0.6429 0.7173 0.7276 0.1663 0.2437 0.7181 0.6863 0.6100 0.6893 0.7374 0.7500 0.7415 0.5284 0.2207 0.7438 0.7401 0.6353 0.7026 0.5146 0.1951 0.1921 0.5593 0.2015 0.7129 0.4484 0.7489 0.3860 0.5380 0.7078 0.7487 0.6313 0.1542 0.7395 0.4198 0.7355 0.0680 0.6651 0.4976 0.0713 0.7209 0.0356 0.1201 0.6010 0.1942 0.6871 0.2992 0.1243 0.5841 0.2895 0.7354 0.0625 0.0902 0.1539 0.0346 0.6367 0.5852 0.7496 0.6335 0.7498 0.7442 0.5702 0.1300 0.4844 0.1834 0.7105 0.4363 0.7262 0.7446 0.6556 0.4664 0.6388 0.7042 0.2608 0.1224 0.3636 0.0836 0.6843 0.1220 0.3197 0.7332 0.7304 0.7111 0.7300 0.6690 0.6025 0.3437 0.5377 0.6973 0.7495 0.4234 0.0308 0.6360 0.2427 0.7444 0.7482 0.3014 0.0424 0.1210 0.7456 0.0368 0.7377 0.5641 0.7032 0.5891 0.2575 0.6842 0.6147 0.2304 0.2012 0.2966 0.7431 0.7499 0.5554 0.7022 0.7425 0.6630 0.6157 0.6842 0.3281 0.7276 0.5559 0.3989 0.7486 0.6884 0.7461 0.7325 0.6050 0.6937 0.6570 0.2494 0.7499 0.4230 0.7367 0.3016 0.4267 0.7362 0.4923 0.6344 0.7498 0.6470 0.5459 0.7281 0.1751 0.2267 0.2311 0.3617 0.2160 0.4470 0.5005 0.0578 0.0542 0.6690 0.2938 0.3471 0.2972 0.5154 0.7215 0.5096 0.0262 0.7498 0.6770 0.0610 0.3386 0.4303 0.5341 0.7463 0.1410 0.3785 0.7399 0.1425 0.1265 0.1892 0.1379 0.3152 0.1734
0.8560 0.8563 0.8549 0.8559 0.8547 0.8007 0.8569 0.8461 0.8545 0.8538 0.7056 0.7310 0.8497 0.8566 0.8532 0.8531 0.5238 0.3855 0.3475 0.8116 0.7827 0.8354 0.8423 0.2852 0.3919 0.8359 0.8140 0.7578 0.8160 0.8488 0.8571 0.8516 0.6914 0.3616 0.8531 0.8506 0.7770 0.8253 0.6795 0.3264 0.3223 0.7173 0.3354 0.8324 0.6191 0.8564 0.5569 0.6996 0.8289 0.8563 0.7740 0.2671 0.8503 0.5913 0.8476 0.1274 0.7988 0.6645 0.1331 0.8378 0.0687 0.2144 0.7508 0.3252 0.8145 0.4606 0.2211 0.7375 0.4490 0.8475 0.1176 0.1655 0.2667 0.0668 0.7780 0.7383 0.8569 0.7756 0.8570 0.8533 0.7263 0.2302 0.6526 0.3099 0.8308 0.6075 0.8414 0.8536 0.7920 0.6361 0.7796 0.8265 0.4137 0.2181 0.5333 0.1544 0.8126 0.2174 0.4845 0.8460 0.8442 0.8312 0.8439 0.8017 0.7520 0.5115 0.6994 0.8216 0.8568 0.5950 0.0598 0.7775 0.3906 0.8535 0.8560 0.4632 0.0813 0.2159 0.8543 0.0710 0.8491 0.7213 0.8258 0.7415 0.4095 0.8125 0.7614 0.3745 0.3350 0.4575 0.8526 0.8571 0.7142 0.8250 0.8522 0.7973 0.7621 0.8125 0.4941 0.8423 0.7146 0.5703 0.8562 0.8154 0.8546 0.8456 0.7539 0.8191 0.7930 0.3992 0.8571 0.5946 0.8484 0.4634 0.5981 0.8481 0.6598 0.7763 0.8570 0.7857 0.7063 0.8426 0.2980 0.3696 0.3755 0.5313 0.3553 0.6178 0.6671 0.1093 0.1029 0.8017 0.4542 0.5154 0.4583 0.6802 0.8382 0.6752 0.0511 0.8570 0.8074 0.1149 0.5059 0.6017 0.6963 0.8547 0.2471 0.5491 0.8505 0.2495 0.2245 0.3181 0.2424 0.4793 0.2956
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
6 6 6 6 6 6 6 6 6 1 6 8 7 6 6 6 6 6 6 7 6 6 6 6 6 6 17 6 8 6 6 6 6 6 6 8 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 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 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
13524.4119 21199.4092 27629.1698
0.99988 0.01470 0.00374 -0.01469 0.99989 -0.00241 -0.00377 0.00235 0.99999
1
0.00640 0.00409 0.00313
0.13344 0.08513 0.06532
19.95 32.47 36.38 49.71 50.25 56.01 63.65 79.42 97.61 107.84 112.08 125.45 150.51 173.68 190.35 213.75 229.12 244.38 249.42 268.40 275.80 318.59 321.28 343.68 355.15 374.25 384.26 440.39 458.30 470.83 517.48 519.54 538.40 552.00 569.60 603.67 660.08 680.60 681.63 702.91 708.80 720.07 735.43 754.99 761.34 766.41 784.43 818.38 824.29 825.63 839.17 867.30 877.57 890.82 905.28 949.29 977.50 985.95 1018.42 1023.79 1058.65 1124.28 1135.94 1141.84 1169.82 1193.42 1207.48 1234.50 1242.27 1243.90 1260.87 1278.63 1308.19 1315.53 1319.35 1346.75 1388.18 1391.38 1401.44 1433.81 1433.85 1449.82 1455.33 1475.32 1522.07 1547.52 1566.40 1579.48 1585.79 1595.20 1599.92 1603.44 1622.14 1627.62 1641.36 1646.09 1650.54 1674.20 1680.86 1686.52 1688.91 1712.90 1727.02 1731.16 1743.35 1745.67 1757.94 1794.48 1801.18 1807.01 1851.62 1878.63 1885.43 1894.12 1905.38 1922.79 1966.64 1968.59 1977.44 1999.95 2009.41 2015.25 2018.93 2033.48 2046.66 2068.33 2107.48 2115.73 2126.80 2134.32 2154.19 2166.11 2172.98 2193.62 2197.81 2206.00 2214.93 2241.75 2250.50 2257.88 2263.80 2313.64 2345.29 2350.51 2353.16 2353.32 2357.97 2360.43 2362.16 2363.67 2370.24 2377.35 2386.73 2389.86 2420.80 2475.52 2544.47 2548.33 2554.49 2586.35 2618.67 2620.79 2707.22 2724.07 4565.61 4583.02 4587.42 4592.18 4595.76 4611.01 4613.94 4653.00 4658.69 4660.34 4667.46 4686.71 4692.74 4710.99 4714.82 4722.85 4767.72 4795.70 4825.46 4833.37 4843.79 4850.22 4871.68 4875.38 4892.30 4899.26 4900.25 4942.79 5570.45 5685.67 5800.91
0.592362
0.623646
0.624591
0.526454
-1983.520919
-1983.489635
-1983.488690
-1983.586827
3.291531D-04
MUNgauss
RevisionA2.0
retrievium
23-Jan-2020
DUDE Cc1ccc(c(c1)C)[C@H](C(=O)NC2CCCCC2)N(c3ccccc3Cl)C(=O)c4c(cccc4O)O C36545165
RHF
6-31G(d)
(6D,10F)
C1
506.197235
|X|Y|Z|
99.182684 75.246103 46.322179
70.183704
29
|36.858105|
|12.612885|36.858105|
|7.544357|13.740270|36.858105|
|5.021268|7.933874|13.779648|36.858105|
|4.407849|6.775038|7.867197|13.704964|36.858105|
|4.993139|7.817333|6.829295|7.934160|13.593997|36.858105|
|7.558513|13.720382|8.008523|6.964062|7.934787|13.712393|36.858105|
|3.798703|5.010176|4.427625|4.996852|7.452655|12.579565|7.617950|36.858105|
|3.259083|4.394241|4.989651|7.510732|12.504374|7.505434|5.007344|6.384276|36.858105|
|3.040220|3.983351|4.216510|5.662994|8.991915|7.306197|4.788044|7.627319|17.687083|0.500000|
|2.859751|3.672529|4.340312|6.243469|7.350157|5.041910|3.881820|4.424350|12.363867|0.255471|36.858105|
|2.473438|3.055381|3.575550|4.805645|5.255438|3.924262|3.171687|3.593355|7.928987|0.182078|15.734371|73.516695|
|2.943127|3.741263|4.399838|5.951241|6.461916|4.797401|3.879405|4.158249|7.800432|0.193786|14.248501|15.142087|53.358707|
|2.511457|3.023309|3.493858|4.299903|4.349340|3.534106|3.051350|3.193306|4.972554|0.130429|7.732561|12.078123|17.775367|36.858105|
|2.607060|3.057656|3.524875|4.045885|3.847837|3.265769|2.980512|2.892395|3.940359|0.103617|5.191226|8.099875|10.617219|12.452639|36.858105|
|2.189099|2.473598|2.783232|3.080752|2.947288|2.588824|2.409273|2.364594|3.054746|0.081761|3.860462|6.519782|6.814469|7.537542|12.436082|36.858105|
|1.960817|2.204745|2.410783|2.672527|2.667456|2.398862|2.206992|2.273177|2.845261|0.078836|3.538793|6.090930|6.024641|6.436344|7.517670|12.441092|36.858105|
|1.920355|2.193373|2.402538|2.744299|2.821449|2.501722|2.237123|2.413092|3.172611|0.089000|4.105718|7.345877|6.776876|7.533843|6.444067|7.538745|12.442687|36.858105|
|2.184360|2.570316|2.832440|3.360797|3.579432|3.096241|2.671996|2.983099|4.202519|0.119693|5.835421|9.867562|10.475822|12.435009|7.539814|6.450484|7.528395|12.439097|36.858105|
|2.889574|3.713585|4.152622|5.693211|7.546242|5.599189|4.126495|5.189028|12.992607|0.260748|7.781547|12.662233|7.066408|3.878600|3.149545|2.585897|2.438273|2.735417|3.430395|53.358707|
|2.979026|3.770536|4.354570|5.771103|6.411429|4.883844|3.946712|4.241083|7.572295|0.159233|5.708832|9.888338|5.751506|3.342559|2.846948|2.380070|2.201299|2.409365|2.896215|18.149689|36.858105|
|2.833592|3.494913|4.261550|5.568679|5.305149|4.000490|3.436141|3.403967|5.935590|0.126396|5.494575|10.236574|5.700192|3.457945|2.970029|2.505073|2.268124|2.465797|2.903584|10.577492|13.709653|36.858105|
|2.749232|3.249584|3.921665|4.623280|4.166313|3.378498|3.084386|2.889472|4.249193|0.096615|3.995026|7.354681|4.516305|2.870409|2.579725|2.233591|2.014416|2.144952|2.444592|6.964998|7.887436|13.780643|36.858105|
|2.791140|3.223630|3.704685|4.104024|3.811074|3.286742|3.080702|2.850912|3.730023|0.087963|3.327554|5.946396|3.859690|2.455313|2.246505|1.961715|1.790809|1.892164|2.142897|6.140868|6.817618|7.953889|13.771196|36.858105|
|2.933355|3.439160|3.769374|4.184356|4.161910|3.724226|3.433206|3.287138|4.044143|0.096894|3.367527|5.865346|3.869525|2.409492|2.189325|1.897897|1.755203|1.863636|2.136495|6.953158|7.874240|6.900295|7.963303|13.783672|36.858105|
|3.043674|3.745245|4.082441|4.865869|5.315640|4.627049|3.950598|4.120720|5.425678|0.127228|4.137501|7.058751|4.548143|2.730974|2.417131|2.058983|1.917657|2.064733|2.425649|10.549654|13.675240|7.990913|6.905621|7.957436|13.765663|36.858105|
|2.970571|3.586155|3.575000|4.041794|4.794789|4.830478|4.093017|4.838253|4.818821|0.126212|3.563836|5.932986|4.069279|2.457195|2.194120|1.882979|1.789208|1.924726|2.260510|8.518194|6.967977|4.756051|4.235727|4.792946|7.111022|10.949768|448.794386|
|2.461151|3.031161|3.238241|4.087881|5.205639|4.468642|3.421373|4.705549|7.880069|0.221029|5.930835|10.630476|5.849180|3.431913|2.781719|2.359343|2.298239|2.628230|3.254239|18.823342|7.732867|5.439528|4.035606|3.720834|4.248819|5.992074|46.747315|36.858105|
|2.388108|2.918503|3.021578|3.715110|4.857469|4.481492|3.393666|5.213168|7.070648|0.245997|5.451292|9.279809|5.757926|3.402670|2.762877|2.350390|2.340556|2.695152|3.376924|11.524858|5.397122|4.136376|3.250931|3.055020|3.462688|4.598905|39.895302|15.753337|73.516695|
|2.140726|2.545513|2.721654|3.290702|3.838640|3.390723|2.779472|3.510291|5.055479|0.136702|4.397101|8.583027|4.603777|2.886298|2.391517|2.096014|2.050675|2.339089|2.772299|10.495909|6.519351|5.098886|4.022648|3.770485|4.241198|5.551642|41.875729|12.789465|14.441302|36.858105|
|1.970336|2.291151|2.381118|2.768130|3.201263|2.995912|2.521937|3.219253|3.911169|0.110391|3.395288|6.385862|3.774137|2.418158|2.060222|1.834074|1.812670|2.043377|2.370635|7.189905|4.785241|3.866231|3.304563|3.277495|3.778212|4.678578|40.379614|7.669255|11.642518|13.546509|36.858105|
|1.761844|2.006655|2.088453|2.376285|2.648344|2.488833|2.163974|2.621820|3.110659|0.086336|2.821156|5.386138|3.222093|2.123478|1.837383|1.664942|1.647296|1.844834|2.087637|5.422264|3.885843|3.373394|3.037118|3.053914|3.415715|3.904383|32.404677|5.059285|7.950624|7.861470|13.772876|36.858105|
|1.691158|1.918357|2.031401|2.315376|2.511813|2.307363|2.026861|2.360024|2.947111|0.079711|2.782336|5.481140|3.175405|2.128712|1.839827|1.681997|1.656604|1.858756|2.077955|5.096240|3.797260|3.509123|3.214026|3.155976|3.358828|3.689388|28.105088|4.472887|6.821300|6.876116|7.992315|13.765169|36.858105|
|1.780464|2.042011|2.209030|2.569129|2.759391|2.452760|2.135383|2.451159|3.323808|0.087556|3.238455|6.656499|3.606755|2.421000|2.057785|1.873624|1.831798|2.074743|2.332524|5.868825|4.415143|4.264010|3.783136|3.514189|3.594845|3.989733|28.155509|5.009755|7.247979|7.880933|6.857292|7.893141|13.803127|36.858105|
|1.999726|2.348369|2.569851|3.094014|3.409932|2.938229|2.480968|2.920833|4.369464|0.113049|4.212331|8.903489|4.441339|2.888901|2.387692|2.125569|2.067418|2.368847|2.747914|8.366905|5.927400|5.447420|4.361208|3.883736|4.041651|4.848812|33.017557|7.501362|9.704790|13.592673|7.883921|6.826638|7.965195|13.717273|36.858105|
|2.053976|2.427570|2.732697|3.361248|3.593318|2.972050|2.514492|2.855416|4.689688|0.116211|4.997668|11.752653|5.121840|3.378164|2.723308|2.416113|2.321021|2.689055|3.131468|8.433463|6.004477|6.341778|4.809333|3.933246|3.843677|4.499062|29.059546|6.448071|8.656192|7.891927|5.200705|4.620301|5.318573|8.229225|14.251810|73.516695|
|2.004265|2.322768|2.349647|2.688747|3.182019|3.122733|2.622141|3.539397|3.777684|0.111676|3.172730|5.711121|3.623093|2.305371|1.988700|1.765774|1.755998|1.963784|2.285035|6.509849|4.193812|3.338681|2.893382|2.930063|3.453232|4.286305|42.216392|6.752506|12.185426|7.935457|14.217620|8.183275|5.305581|4.627942|5.212541|7.056517|73.516695|
|17.533607|8.860961|6.190433|4.431282|3.968334|4.466014|6.352279|3.531620|3.026601|0.078364|2.631838|4.123364|3.593777|2.269923|2.318717|1.978227|1.787274|1.765656|1.995193|3.795702|2.948236|2.792531|2.775325|2.908428|3.091644|3.122384|24.684349|2.394351|4.095344|2.115824|1.968004|1.771882|1.698326|1.774895|1.975549|3.568704|3.562801|0.500000|
|17.568692|8.835253|5.670178|4.218559|3.948119|4.679660|7.043922|3.776132|3.011757|0.080370|2.656547|4.090043|3.769381|2.388914|2.494289|2.113436|1.918049|1.870059|2.118932|3.615142|2.669299|2.513178|2.415172|2.448187|2.593686|2.721760|22.030196|2.315811|4.072902|2.013451|1.873501|1.676281|1.599497|1.671623|1.869631|3.392921|3.427513|0.302166|0.500000|
|17.574055|8.836983|7.130151|4.716247|3.940221|4.168088|5.622281|3.243711|3.007880|0.077288|2.743651|4.262195|3.904883|2.504562|2.664255|2.253682|1.988781|1.920750|2.156594|3.636049|2.774270|2.725290|2.680241|2.680110|2.729914|2.783944|21.207968|2.279167|3.911594|2.005869|1.838026|1.658538|1.609490|1.704888|1.904748|3.519566|3.287524|0.302027|0.301475|0.500000|
|6.965002|8.901662|17.707713|8.945197|5.623379|4.928698|5.666766|3.542020|4.082960|0.097063|3.795298|5.790480|5.302770|3.268973|3.402666|2.750129|2.342694|2.299101|2.641139|4.836854|3.832888|3.975115|3.851169|3.615863|3.513095|3.617790|24.980378|2.840886|4.690252|2.465506|2.169569|1.937546|1.909775|2.082243|2.383577|4.549289|3.768339|0.164202|0.143829|0.214458|0.500000|
|4.103735|5.662327|8.993201|17.731956|8.915160|5.639894|5.000441|4.064056|6.972787|0.142684|6.872360|9.809081|8.673140|4.739877|4.382300|3.328915|2.821400|2.912576|3.540749|7.662019|5.954073|6.568009|5.318265|4.351556|4.159524|4.699336|29.606604|4.029262|6.339245|3.338950|2.751816|2.390915|2.381390|2.702687|3.268706|6.581531|4.627414|0.103359|0.097396|0.112373|0.218021|0.500000|
|7.048441|8.953115|5.681601|4.997568|5.649985|8.962760|17.698037|7.157258|4.086910|0.113628|3.268125|4.879687|4.470400|2.676672|2.635122|2.183404|2.032304|2.052773|2.414762|4.782718|3.352359|2.927594|2.677905|2.722907|3.054881|3.449659|30.244478|3.060278|5.519579|2.537232|2.363246|2.044564|1.899561|1.971395|2.255357|4.006795|4.450812|0.172707|0.211174|0.142989|0.124458|0.108302|0.500000|
|3.395324|4.337856|3.966354|4.519442|6.467829|8.814817|6.032976|17.526969|6.145908|0.225285|4.594357|6.554987|6.140904|3.470773|3.117278|2.535892|2.480660|2.650848|3.339819|6.447754|3.760114|3.128110|2.643626|2.554909|2.861896|3.514056|31.627509|4.468280|9.291106|3.337229|3.048681|2.497379|2.263068|2.362127|2.813440|4.955365|5.928507|0.086185|0.095379|0.082897|0.090349|0.105795|0.159689|0.500000|
|3.872086|4.807423|4.000618|4.191767|5.549723|8.878315|7.396569|17.593501|4.713072|0.148035|3.545569|5.307979|4.647342|2.743798|2.556974|2.135637|2.060413|2.156322|2.593249|5.591031|3.576674|2.946802|2.590983|2.614856|3.022713|3.640442|35.516670|3.839116|7.474779|3.041872|2.889808|2.409524|2.163071|2.210521|2.566128|4.421187|5.736698|0.101530|0.110862|0.090028|0.090960|0.096071|0.231866|0.302605|0.500000|
|3.304906|4.230403|3.933807|4.572543|6.713064|8.786849|5.799923|17.614555|6.701004|0.228512|4.455869|6.653993|5.359078|3.056243|2.698587|2.239708|2.170082|2.345563|2.890186|8.322641|4.783387|3.643620|3.048186|3.032776|3.596428|4.717756|48.255979|5.883723|11.944527|4.209266|3.893238|3.055953|2.682585|2.759636|3.332866|5.612616|7.858690|0.088003|0.089614|0.079804|0.089674|0.107655|0.150907|0.302813|0.302146|0.500000|
|3.326434|4.336656|4.997956|6.621809|7.388013|5.667997|4.565967|4.728932|7.516688|0.195790|9.483874|10.900912|26.052374|8.986599|7.383925|4.685883|4.134632|4.369506|6.305405|6.569527|3.990448|3.839303|3.124964|2.745361|2.795111|3.278553|24.198787|3.990251|7.151855|3.122496|2.625457|2.240447|2.178954|2.426473|2.942110|5.821153|4.583752|0.080983|0.087650|0.089302|0.118842|0.178309|0.105680|0.145320|0.107070|0.117926|0.500000|
|2.363759|2.816661|3.311293|4.085008|4.002050|3.208937|2.797260|2.889997|4.656871|0.117735|7.384208|13.634353|12.653788|17.602170|8.892456|6.833107|5.696597|6.843510|8.902870|5.272837|3.439158|3.717249|3.081651|2.571707|2.470677|2.768195|19.475204|3.419848|5.833025|2.965579|2.453102|2.178528|2.225463|2.579837|3.075980|6.644737|4.070698|0.060169|0.061790|0.065896|0.087936|0.131453|0.068236|0.084971|0.069527|0.078528|0.182397|0.500000|
|2.849743|3.349974|4.023913|4.566090|4.047873|3.366173|3.140993|2.873004|3.953428|0.100096|5.064503|7.869426|9.702922|8.845510|17.538930|8.796613|5.479587|4.835722|5.497904|4.337652|2.975314|3.178299|2.795130|2.412753|2.318242|2.527976|18.066883|2.740526|4.735765|2.370124|2.037008|1.823436|1.833825|2.056430|2.380644|4.845538|3.479317|0.069956|0.074366|0.082404|0.111025|0.142271|0.076001|0.083754|0.070850|0.074268|0.193491|0.215409|0.500000|
|2.746144|3.214307|3.581144|3.999104|3.908323|3.452050|3.180366|3.081811|3.869398|0.105104|4.759064|7.153863|9.713348|8.857160|17.474717|8.850507|6.775890|5.664934|6.802447|4.132960|2.715629|2.752618|2.403160|2.136833|2.116950|2.348187|17.522998|2.704315|4.877138|2.298743|2.006789|1.781506|1.761822|1.943577|2.248443|4.452561|3.499886|0.066910|0.074293|0.077480|0.094295|0.113942|0.078775|0.094184|0.076101|0.078045|0.218267|0.174215|0.302621|0.500000|
|2.082468|2.344966|2.673738|2.974809|2.805413|2.433251|2.264452|2.215359|2.942257|0.077444|3.758213|6.629788|6.275057|6.790391|8.858066|17.503596|8.851345|6.782768|5.659360|3.479508|2.391192|2.574335|2.311498|2.006139|1.913864|2.057947|14.886605|2.330271|4.061946|2.104830|1.832891|1.677394|1.714617|1.927438|2.175111|4.462823|3.100321|0.052832|0.055311|0.059757|0.074374|0.091603|0.056884|0.065045|0.055613|0.059068|0.115610|0.201300|0.214762|0.173800|0.500000|
|2.179719|2.413088|2.687082|2.876312|2.713504|2.433887|2.320486|2.215920|2.725906|0.073098|3.291825|5.508765|5.648830|5.498357|8.839574|17.542590|8.804971|5.489586|4.840244|3.169269|2.175390|2.284702|2.074926|1.844591|1.783973|1.914728|14.147000|2.124696|3.766105|1.899547|1.681871|1.535443|1.547646|1.708495|1.918083|3.824601|2.896730|0.054511|0.058794|0.063093|0.074846|0.085140|0.058905|0.065628|0.056370|0.057862|0.113205|0.140135|0.211915|0.215230|0.303599|0.500000|
|1.782332|1.973737|2.146053|2.344793|2.325189|2.112366|1.965793|2.012726|2.466408|0.068209|2.993686|5.267373|4.860044|4.833327|5.485319|8.823044|17.538730|8.811075|5.486482|2.949652|1.984708|2.056229|1.853145|1.655910|1.616010|1.747210|13.106166|2.061613|3.718494|1.873109|1.671590|1.536273|1.553047|1.710931|1.903608|3.782499|2.874154|0.045467|0.048502|0.050420|0.058540|0.068821|0.050704|0.060433|0.051226|0.053720|0.093227|0.127516|0.123089|0.139237|0.215107|0.211487|0.500000|
|1.995729|2.233848|2.397110|2.623074|2.652608|2.440171|2.257602|2.337284|2.785117|0.078619|3.350355|5.602527|5.751078|5.646378|6.764553|8.851281|17.496382|8.850193|6.777059|3.214567|2.118795|2.146544|1.910177|1.719338|1.702862|1.866087|14.195384|2.236327|4.109508|1.978446|1.765936|1.598846|1.591643|1.741266|1.963407|3.853483|3.079648|0.050248|0.054868|0.056017|0.064190|0.075157|0.058261|0.071803|0.059217|0.061268|0.114957|0.131629|0.138997|0.199230|0.173766|0.214725|0.303370|0.500000|
|1.837625|2.092275|2.317600|2.656255|2.691692|2.357456|2.113550|2.257497|3.053447|0.083873|3.997037|7.560411|6.246359|6.790653|5.659039|6.782478|8.848846|17.501283|8.851502|3.687306|2.422948|2.530272|2.209531|1.928776|1.877364|2.064360|15.225440|2.604028|4.653009|2.366532|2.054483|1.872982|1.914480|2.162058|2.454280|5.049238|3.458417|0.047302|0.049312|0.051240|0.062231|0.079881|0.053727|0.067676|0.056117|0.061710|0.109061|0.201776|0.126734|0.131172|0.199464|0.139230|0.214753|0.173718|0.500000|
|1.776429|2.010454|2.163302|2.442776|2.550301|2.313152|2.073194|2.284203|2.870565|0.082329|3.555536|6.392729|5.610474|5.494199|4.834918|5.490339|8.809001|17.544696|8.834185|3.430000|2.213334|2.234186|1.957059|1.748561|1.735971|1.922277|14.619311|2.482481|4.602898|2.230921|1.979046|1.794860|1.799965|1.987117|2.244472|4.445101|3.406943|0.045620|0.048435|0.049097|0.057337|0.070894|0.053522|0.070147|0.057200|0.062011|0.103604|0.140314|0.106555|0.126822|0.139279|0.123110|0.211274|0.214685|0.303708|0.500000|
|2.250778|2.646163|2.842646|3.316422|3.621698|3.249171|2.802787|3.199695|4.133184|0.123043|5.272302|8.354518|9.623430|8.872942|6.815039|5.676669|6.782283|8.831059|17.493401|4.492232|2.762263|2.699389|2.290014|2.044807|2.068391|2.357897|18.081263|3.156922|6.005226|2.649109|2.305763|2.018764|1.978343|2.182033|2.557472|5.027331|4.036470|0.056703|0.061483|0.061278|0.072722|0.093592|0.071072|0.102775|0.077449|0.084454|0.182424|0.174567|0.139939|0.201324|0.131308|0.127116|0.139202|0.199560|0.173534|0.214270|0.500000|
|2.091345|2.468872|2.708538|3.257904|3.566861|3.073236|2.602232|3.031838|4.446301|0.129078|6.236887|11.415737|9.552288|8.864031|5.506201|4.841253|5.484590|8.796333|17.565269|5.093930|3.076981|3.048567|2.527076|2.210521|2.217374|2.547362|19.096536|3.677447|6.851026|3.131570|2.644162|2.310339|2.300732|2.603875|3.110069|6.336637|4.488310|0.053678|0.056205|0.056828|0.069691|0.095387|0.065496|0.093989|0.072632|0.083821|0.155254|0.216346|0.123682|0.139894|0.126778|0.106675|0.123047|0.139173|0.214537|0.211595|0.302592|0.500000|
|2.676094|3.286454|4.055063|5.407814|5.098490|3.769771|3.221609|3.236670|6.072698|0.128684|6.566097|13.415870|6.589557|4.056074|3.369855|2.826946|2.535927|2.794196|3.312486|9.760305|8.964785|17.791751|8.949083|5.662401|4.972089|5.679462|31.484371|5.222332|7.255224|4.825710|3.609941|3.167674|3.347922|4.178810|5.416297|12.775513|5.536919|0.071906|0.066591|0.072519|0.106424|0.190327|0.076419|0.085292|0.077340|0.094702|0.117272|0.126316|0.100179|0.084395|0.081869|0.070386|0.063502|0.065631|0.080810|0.069269|0.083242|0.097093|0.500000|
|2.554724|2.946657|3.573583|4.088595|3.592340|2.951507|2.748090|2.542477|3.654366|0.084758|3.641902|6.840508|4.253972|2.801644|2.555590|2.249861|2.010774|2.124958|2.375541|5.662829|5.632306|8.948075|17.728375|8.907899|5.653902|4.969838|27.446042|3.417581|5.045308|3.442350|2.879289|2.708873|2.922548|3.454945|3.845198|7.799709|4.501701|0.071264|0.062577|0.070647|0.101239|0.134371|0.066907|0.065762|0.063923|0.073390|0.081164|0.085128|0.077655|0.065301|0.065654|0.058248|0.051779|0.052516|0.061496|0.053644|0.061233|0.067682|0.216333|0.500000|
|2.616919|2.913712|3.292895|3.486751|3.202211|2.844696|2.744590|2.496496|3.095979|0.074810|2.830527|5.071497|3.378836|2.198330|2.047025|1.814594|1.657124|1.735028|1.934075|4.894926|4.923774|5.648630|8.901677|17.724565|8.944288|5.659021|31.803814|3.086250|4.643887|3.166941|2.846780|2.729389|2.844307|3.105022|3.292776|5.916836|4.579834|0.076737|0.063951|0.070677|0.091890|0.102193|0.068579|0.062678|0.064775|0.072908|0.067137|0.063978|0.061179|0.054183|0.051709|0.047814|0.042906|0.044226|0.049229|0.044707|0.051370|0.055079|0.124310|0.213931|0.500000|
|2.837848|3.215138|3.379072|3.580876|3.593487|3.393812|3.228827|3.074139|3.431639|0.085203|2.878743|4.988885|3.395095|2.142857|1.973387|1.728399|1.609069|1.697860|1.927760|5.658571|5.631026|4.969174|5.651619|8.900500|17.753959|8.960814|54.951413|3.656971|5.513518|3.693953|3.487101|3.229655|3.121336|3.206445|3.469868|5.751541|5.847494|0.085050|0.070331|0.072878|0.088166|0.096690|0.082125|0.074079|0.080857|0.093148|0.068927|0.060538|0.057778|0.053496|0.048230|0.045479|0.041368|0.043623|0.047336|0.044263|0.052297|0.055383|0.107899|0.124056|0.214758|0.500000|
|1.663311|1.871286|1.921872|2.149430|2.386516|2.293271|2.022488|2.444737|2.731003|0.076732|2.474339|4.643213|2.889703|1.918253|1.682054|1.533924|1.523879|1.693562|1.899125|4.578808|3.290926|2.881667|2.654878|2.720565|3.054897|3.405737|29.542262|4.137258|6.854857|5.623556|8.978549|17.754472|8.840779|5.614789|4.931330|6.519163|13.367233|0.046672|0.044245|0.043435|0.049667|0.059535|0.053775|0.064726|0.063552|0.078675|0.056433|0.054268|0.046326|0.045614|0.042782|0.039546|0.039650|0.041313|0.047546|0.046065|0.051465|0.057901|0.075193|0.066447|0.068855|0.082656|0.500000|
|1.558745|1.745218|1.841087|2.066269|2.209158|2.048963|1.829486|2.089463|2.532084|0.068601|2.420861|4.737730|2.822595|1.920138|1.681540|1.554517|1.533621|1.708620|1.881068|4.224714|3.189176|3.029768|2.869938|2.851301|2.982194|3.154602|24.190029|3.571100|5.624791|4.953118|5.675929|8.957193|17.709316|8.972313|5.664280|7.634487|7.608280|0.043627|0.041055|0.041396|0.048524|0.059075|0.047955|0.055824|0.053856|0.065053|0.054068|0.055823|0.046620|0.044756|0.044140|0.039950|0.040237|0.040935|0.049020|0.046151|0.049809|0.057384|0.080734|0.074041|0.073271|0.078583|0.213552|0.500000|
|1.690611|1.922082|2.095684|2.417377|2.534203|2.242811|1.980594|2.210328|2.997235|0.078265|3.022421|6.297960|3.426682|2.352277|2.013657|1.857028|1.810451|2.045207|2.259138|5.071516|3.894541|4.012289|3.686893|3.357350|3.285955|3.503339|24.264477|4.088864|6.087010|5.635742|4.947883|5.615430|8.859889|17.753246|8.975373|13.509906|6.528289|0.046774|0.044030|0.045381|0.055608|0.071667|0.050781|0.059521|0.055690|0.067806|0.063716|0.070682|0.056091|0.052377|0.053642|0.047070|0.047319|0.047445|0.059959|0.054299|0.058135|0.069639|0.112292|0.097221|0.084202|0.081652|0.123292|0.214063|0.500000|
|2.198243|2.643336|3.006428|3.818943|4.164264|3.332163|2.755491|3.174478|5.830472|0.140985|6.615904|17.387562|6.289933|4.028251|3.121211|2.706034|2.590322|3.044487|3.673724|10.275674|6.519644|6.717515|4.741815|3.822435|3.778563|4.576991|29.736714|7.437400|9.895978|7.502753|4.871979|4.110656|4.412627|6.038022|9.806433|35.434894|6.963207|0.059003|0.056723|0.058762|0.077212|0.117897|0.067806|0.087015|0.075277|0.096969|0.108256|0.124197|0.086150|0.079233|0.077624|0.066063|0.064974|0.067036|0.088781|0.077622|0.091070|0.118035|0.228545|0.119201|0.089101|0.087921|0.092996|0.100894|0.153508|0.500000|
|2.119561|2.489042|2.506156|2.901894|3.544421|3.507154|2.864609|4.129018|4.321722|0.133551|3.532712|6.227487|4.012107|2.511765|2.146294|1.886623|1.882947|2.116792|2.504979|7.295071|4.361192|3.410199|2.886705|2.876117|3.375177|4.303418|42.771025|8.062710|16.959850|7.761843|10.075009|6.118465|4.477788|4.192959|4.992280|7.085303|35.580157|0.058306|0.056865|0.054060|0.062049|0.077180|0.075779|0.109189|0.102214|0.148517|0.079664|0.068414|0.058269|0.059402|0.051367|0.048177|0.047797|0.051844|0.057708|0.057390|0.069792|0.077275|0.089435|0.070135|0.069780|0.088155|0.153865|0.101929|0.094601|0.113633|0.500000|
1982.122208
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