Version2.2
2021-02-13T01:46:23Z
10.1021/jm300687e
Gaussian16
RevisionB.01
CFLINN
26-Jan-2021
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE Cc1c(n(c(c1C#N)NC(=O)CSc2nnc(n2C3CC3)C4CC4)C[C@@H]5CCCO5)C C24505852
RHF
6-31G(d)
(6D,7F)
Cc1c(n(c(c1C#N)NC(=O)CSc2nnc(n2C3CC3)C4CC4)C[C@@H]5CCCO5)C
C01[X(C22H28N6O2S1)]
171
C1
525
N#Cc1c(C)c(n(c1NC(=O)CSc1nnc(n1C1CC1)C1CC1)C[C@@H]1CCCO1)C
N#Cc1c(C)c(n(c1NC(=O)CSc1nnc(n1C1CC1)C1CC1)C[C@@H]1CCCO1)C
Cc1n(C[C@@H]2CCCO2)c(NC(=O)CSc3nnc(C4CC4)n3C5CC5)c(C#N)c1C
InChIKey=NEPXQNBFOFGMJE-KRWDZBQOSA-N
InChI=1S/C22H28N6O2S/c1-13-14(2)27(11-17-4-3-9-30-17)21(18(13)10-23)24-19(29)12-31-22-26-25-20(15-5-6-15)28(22)16-7-8-16/h15-17H,3-9,11-12H2,1-2H3,(H,24,29)/t17-/m0/s1
InChI=1/C22H28N6O2S/c1-13-14(2)27(11-17-4-3-9-30-17)21(18(13)10-23)24-19(29)12-31-22-26-25-20(15-5-6-15)28(22)16-7-8-16/h15-17H,3-9,11-12H2,1-2H3,(H,24,29)/t17-/m0/s1/f/h24H
Cc1c(n(c(c1C#N)NC(=O)CSc2nnc(n2C3CC3)C4CC4)C[C@@H]5CCCO5)C
C01[X(C22H28N6O2S1)]
171
C01
525
N#Cc1c(C)c(n(c1NC(=O)CSc1nnc(n1C1CC1)C1CC1)C[C@@H]1CCCO1)C
N#C[C]1[C](=C([N]([C]1NC(=O)CS[C]1[N][N]=C(N1C1CC1)C1CC1)C[C@@H]1CCCO1)C)C
CC1=C(C)N(C[C@@H]2CCCO2)[C](NC(=O)CS[C]3[N]N=C(C4CC4)N3C5CC5)[C]1C#N
InChIKey=NEPXQNBFOFGMJE-KRWDZBQOSA-N
InChI=1S/C22H28N6O2S/c1-13-14(2)27(11-17-4-3-9-30-17)21(18(13)10-23)24-19(29)12-31-22-26-25-20(15-5-6-15)28(22)16-7-8-16/h15-17H,3-9,11-12H2,1-2H3,(H,24,29)/t17-/m0/s1
InChI=1/C22H28N6O2S/c1-13-14(2)27(11-17-4-3-9-30-17)21(18(13)10-23)24-19(29)12-31-22-26-25-20(15-5-6-15)28(22)16-7-8-16/h15-17H,3-9,11-12H2,1-2H3,(H,24,29)/t17-/m0/s1/f/h24H
3159.9253672107
-1723.2540858
1-A
20753.5725
117
408
525
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12.09346
0.0761 7.2662 -4.5000
8.5471
|XX|YY|ZZ|XY|XZ|YZ|
-132.1525 -199.7051 -196.5483 -37.2381 1.8214 5.0108
|XX|YY|ZZ|XY|XZ|YZ|
43.9828 -23.5698 -20.4130 -37.2381 1.8214 5.0108
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
104.1528 153.9745 -24.2319 1.8007 -14.8198 -97.3253 14.4197 36.3946 -45.2915 -19.2628
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-18824.2573 -5615.3143 -1007.2442 -392.4465 19.9466 -493.3027 249.8589 21.8137 91.3584 -4436.9182 -3807.9863 -1170.2640 66.0085 52.5140 -152.5314
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440.19945
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|
10.0377 11.2287 16.9994 23.4817 32.8419 39.4431 51.3516 57.5848 65.7101 74.6040 75.0842 80.7041 86.5095 99.7383 104.5342 115.6954 131.2081 145.1953 159.6415 167.2711 173.6305 185.3007 192.9462 206.4164 250.8055 263.9054 265.8037 278.6549 307.4006 314.8964 334.6471 355.2342 366.4610 379.9219 404.9499 412.3734 462.5486 492.8196 502.9331 525.6324 546.8456 577.6528 582.6201 629.7408 649.7303 654.0755 662.4185 673.0391 688.3974 699.1238 724.4379 735.4387 744.9139 768.0149 774.3779 815.0733 836.7021 857.2310 869.2157 872.4729 901.4888 902.7152 914.4224 919.9573 949.3484 976.5858 986.3316 996.1978 997.2597 1002.6589 1020.0071 1020.9478 1029.2442 1055.0954 1070.0768 1088.3046 1117.4681 1121.8651 1135.6734 1157.0916 1176.8017 1179.4960 1192.1205 1193.0349 1196.7659 1208.2993 1208.9033 1224.0461 1234.0508 1246.4700 1247.9806 1251.6125 1254.6501 1259.4897 1280.4841 1290.0888 1302.8337 1312.4756 1313.4850 1316.0227 1320.0859 1324.3573 1331.9710 1335.3335 1355.9130 1379.3431 1404.1312 1432.8614 1444.0423 1476.8410 1486.5415 1494.6907 1500.3618 1506.2646 1523.5894 1544.8319 1549.9810 1552.7368 1574.9810 1578.4744 1582.8510 1588.7493 1601.7103 1602.8247 1609.2844 1609.3483 1627.9078 1630.4829 1633.3270 1635.2412 1641.5498 1646.4132 1651.7697 1665.9394 1668.2795 1688.6515 1694.7725 1717.2982 1743.0180 1771.3198 1805.9354 1991.7003 2595.6460 3197.3376 3201.8534 3210.8158 3214.2886 3229.5086 3234.8041 3242.4757 3261.9492 3268.1969 3268.5914 3277.0694 3278.6291 3289.7422 3293.5524 3314.6657 3315.3813 3318.4139 3319.1950 3321.4669 3327.1303 3335.2887 3346.3429 3376.3850 3400.2584 3404.8016 3422.7031 3426.0356 3830.0833
4.1563 4.8689 3.8367 3.8956 5.2850 4.3313 3.3842 6.8152 5.4513 1.1541 3.4878 4.1692 4.1983 4.0927 2.7461 3.7753 3.7047 4.7479 4.0529 4.1592 4.0562 1.2747 2.3538 2.9246 4.7738 5.0073 5.4316 4.1515 4.2102 3.0991 4.1639 3.3314 3.9992 3.6981 5.4516 5.3353 4.8697 3.6227 2.5962 7.2033 6.6002 7.9382 1.6038 2.1271 4.0150 1.6520 4.8924 4.2905 3.9485 3.8804 3.5775 2.8220 4.7688 6.0066 10.9178 3.8472 5.3007 1.0961 1.1523 4.1400 1.5746 2.7046 1.3953 2.4504 2.4600 1.7057 3.3142 3.3239 2.4566 2.5374 1.7861 1.9557 3.3377 3.8793 4.8730 1.9679 2.0149 5.1024 2.8121 1.3865 1.5086 2.5205 1.7259 1.9103 1.3210 1.4155 2.1924 1.2754 1.3141 1.2203 2.3957 4.4646 2.2986 1.2098 2.7062 2.8767 1.1851 2.3902 1.5933 1.7761 1.4732 1.5918 2.1165 1.3563 2.2246 1.2179 1.6913 1.2768 3.9475 1.3611 1.8634 3.1606 1.4369 1.3371 1.9362 1.7834 1.5593 2.2142 2.0120 1.5335 1.3443 2.2938 2.0001 1.3007 1.0927 1.0965 1.0450 1.0902 1.0449 1.0997 1.1043 1.1244 1.1207 1.4630 1.5639 1.1157 8.3297 1.9908 7.6907 11.1068 8.0085 10.5726 12.6886 1.0471 1.0808 1.0385 1.0690 1.0638 1.0681 1.1025 1.1027 1.0598 1.0612 1.0973 1.1013 1.1011 1.1081 1.0538 1.0991 1.1026 1.1065 1.0547 1.0608 1.0620 1.0882 1.0910 1.1187 1.1200 1.1153 1.1172 1.0786
0.0002 0.0004 0.0007 0.0013 0.0034 0.0040 0.0053 0.0133 0.0139 0.0038 0.0116 0.0160 0.0185 0.0240 0.0177 0.0298 0.0376 0.0590 0.0609 0.0686 0.0720 0.0258 0.0516 0.0734 0.1769 0.2055 0.2261 0.1899 0.2344 0.1811 0.2747 0.2477 0.3164 0.3145 0.5267 0.5345 0.6139 0.5184 0.3869 1.1726 1.1629 1.5607 0.3207 0.4970 0.9986 0.4164 1.2648 1.1451 1.1024 1.1175 1.1062 0.8993 1.5591 2.0875 3.8574 1.5059 2.1864 0.4746 0.5130 1.8568 0.7539 1.2985 0.6874 1.2219 1.3063 0.9585 1.8996 1.9435 1.4395 1.5030 1.0949 1.2010 2.0832 2.5444 3.2876 1.3733 1.4824 3.7836 2.1369 1.0937 1.2309 2.0660 1.4451 1.6020 1.1147 1.2176 1.8878 1.1259 1.1791 1.1170 2.1983 4.1207 2.1319 1.1307 2.6143 2.8209 1.1852 2.4259 1.6196 1.8124 1.5126 1.6449 2.2123 1.4249 2.4097 1.3652 1.9647 1.5444 4.8499 1.7490 2.4261 4.1602 1.9058 1.7874 2.6481 2.5076 2.2072 3.1453 2.9406 2.2511 1.9844 3.4113 3.0232 1.9689 1.6673 1.6733 1.6316 1.7076 1.6423 1.7326 1.7533 1.7958 1.8015 2.3922 2.5644 1.8744 14.0962 3.4592 13.7665 20.5322 15.3888 24.7104 50.3678 6.3069 6.5280 6.3079 6.5074 6.5372 6.5851 6.8294 6.9131 6.6694 6.6801 6.9432 6.9751 7.0213 7.0817 6.8217 7.1178 7.1539 7.1825 6.8554 6.9188 6.9608 7.1796 7.3282 7.6208 7.6499 7.6981 7.7261 9.3224
2.4889 1.3426 1.3409 0.5264 1.9602 0.4931 0.6451 0.6447 1.3452 0.1875 0.3619 5.5400 4.3862 12.6419 0.4093 0.6362 1.4037 3.4755 1.4372 5.6121 2.2613 0.5880 1.4909 1.2285 7.9851 0.0487 1.5947 0.4362 5.2288 0.3516 2.6262 8.7670 0.1027 0.3132 9.6104 3.5329 2.2331 2.9533 3.5522 8.9795 0.0522 7.9466 102.6179 1.1348 4.3511 26.2001 12.3451 6.1788 9.5286 1.1210 12.9948 6.9717 3.7219 23.2420 2.8807 7.4260 16.0724 1.0853 1.1152 1.6070 4.9361 17.7052 8.7314 10.5813 8.9677 2.7028 32.9050 4.5608 10.1060 6.4400 3.4139 7.2419 2.8008 14.9285 14.5341 8.0302 7.8722 13.7549 36.7514 0.3610 0.2127 6.5809 5.3122 9.9123 2.6559 7.2830 16.2036 2.5472 3.0360 0.5773 33.3338 110.7756 8.0036 1.7394 96.9961 81.6850 20.6752 9.2645 16.3121 1.6112 1.9396 4.5668 120.3525 4.8430 26.7824 5.0795 15.8954 5.3249 43.2788 3.2542 29.9791 74.8457 66.8893 8.2316 18.0282 1.7887 10.3365 62.0455 19.2867 8.1284 18.6295 56.2688 62.7136 51.9513 1.9312 1.0149 0.5875 4.2244 10.0846 4.7312 16.9797 8.2021 3.6552 8.9839 6.2031 13.3642 139.7461 530.0587 104.4817 76.9714 56.2064 211.3654 100.8994 43.4615 37.2921 35.5668 27.2805 29.6674 49.3894 32.2419 22.7023 16.0043 29.2854 33.0747 23.5774 27.4194 69.2322 20.5978 48.0376 4.7778 0.2473 13.7893 20.0361 5.3319 12.7465 8.2649 9.6011 4.3675 11.8138 10.8887 149.7220
1.3463 0.7380 1.3199 0.4703 0.9914 0.4770 0.9253 0.4931 0.8023 0.7169 0.9411 0.0503 0.8777 0.3194 0.1010 0.5198 0.3288 1.9596 0.1609 1.1404 0.7995 0.4617 0.8307 0.3433 0.7675 0.4059 1.6944 1.3007 0.7910 0.5028 1.9953 1.3659 0.7931 2.9134 1.3464 1.5280 0.7867 3.1881 1.8674 0.7547 5.5835 6.6027 3.4050 2.1495 1.6310 1.4562 7.8990 5.4674 4.6646 2.7080 0.8474 8.4566 2.2460 0.7608 0.4445 0.4428 3.9523 2.8501 1.8489 18.9327 9.4965 20.1729 4.2278 7.3187 5.6063 1.9827 24.5200 13.5371 6.2344 0.6762 5.9021 1.2586 16.8902 7.3433 10.0460 4.7377 9.6612 5.7887 1.9315 2.5723 0.1967 7.2244 4.8077 4.1506 5.5408 1.3734 5.0519 1.2551 0.5386 1.5896 2.2904 3.0321 1.4050 1.6837 3.9762 5.5888 7.5659 6.3172 1.9890 23.4189 7.6591 18.9104 13.7872 17.4065 3.8808 16.6524 0.5717 4.7062 1.9240 1.1595 5.8996 33.7062 6.1419 4.1791 3.2293 2.6810 1.7842 14.2353 36.9762 4.9992 15.2656 10.9683 38.9359 6.4418 9.5638 7.6309 4.5755 3.8587 33.6521 18.6484 24.6116 22.2710 7.4297 13.4234 31.2308 8.7757 24.2463 23.3145 108.3110 79.7317 13.2138 7.1755 228.9708 89.9999 99.5387 171.3168 28.2836 47.7164 131.7851 83.0783 79.6865 69.9481 64.0752 107.0480 81.0778 48.4718 80.0826 65.4539 71.7855 67.7224 30.1431 63.0982 147.1160 54.8905 129.0919 74.1133 76.9961 65.2309 44.3227 34.7928 61.8296
0.7493 0.7438 0.7197 0.7499 0.7319 0.7415 0.7317 0.5426 0.7388 0.7439 0.6174 0.7279 0.7416 0.7490 0.7044 0.2006 0.1367 0.7154 0.6601 0.4156 0.5533 0.4931 0.3203 0.1388 0.3567 0.0570 0.4743 0.7042 0.4535 0.7242 0.0922 0.4194 0.4580 0.2295 0.6804 0.7234 0.2306 0.7440 0.7420 0.2886 0.4693 0.7441 0.4319 0.7238 0.4425 0.2054 0.6194 0.3002 0.4886 0.6350 0.7472 0.2158 0.7175 0.7303 0.6512 0.7331 0.7486 0.7332 0.6105 0.2349 0.3661 0.1242 0.6925 0.7230 0.3313 0.1407 0.6838 0.6269 0.3161 0.7441 0.1554 0.5402 0.7423 0.6558 0.0783 0.5250 0.6452 0.6948 0.2242 0.7364 0.5840 0.6185 0.7163 0.6598 0.3972 0.5723 0.7490 0.6718 0.7127 0.5075 0.5860 0.1837 0.5454 0.7491 0.4630 0.7085 0.7381 0.7225 0.6195 0.0528 0.2020 0.3446 0.3794 0.7409 0.7431 0.7386 0.2394 0.6847 0.7376 0.6883 0.4710 0.7339 0.6366 0.6894 0.7481 0.2199 0.7496 0.2364 0.7492 0.6651 0.2527 0.7224 0.2179 0.5745 0.7416 0.7277 0.7119 0.6798 0.7366 0.7500 0.7427 0.5537 0.7500 0.7440 0.2092 0.7052 0.2451 0.5436 0.1805 0.2722 0.6096 0.1771 0.3067 0.1707 0.1366 0.0255 0.2373 0.4633 0.1487 0.7429 0.7496 0.0204 0.0785 0.1443 0.5786 0.7399 0.7460 0.3254 0.4780 0.7304 0.7450 0.2210 0.1173 0.1712 0.1272 0.2070 0.6687 0.7338 0.6856 0.7050 0.1310
0.8567 0.8531 0.8370 0.8571 0.8452 0.8515 0.8451 0.7035 0.8498 0.8531 0.7635 0.8425 0.8517 0.8565 0.8266 0.3341 0.2405 0.8341 0.7952 0.5871 0.7124 0.6605 0.4852 0.2438 0.5259 0.1078 0.6435 0.8264 0.6240 0.8401 0.1688 0.5909 0.6283 0.3733 0.8098 0.8395 0.3748 0.8532 0.8519 0.4479 0.6388 0.8533 0.6033 0.8398 0.6135 0.3409 0.7650 0.4618 0.6564 0.7768 0.8553 0.3550 0.8355 0.8442 0.7887 0.8460 0.8562 0.8461 0.7581 0.3804 0.5359 0.2209 0.8183 0.8392 0.4977 0.2467 0.8122 0.7707 0.4803 0.8533 0.2689 0.7014 0.8521 0.7921 0.1453 0.6885 0.7843 0.8199 0.3662 0.8482 0.7373 0.7643 0.8347 0.7950 0.5685 0.7280 0.8565 0.8037 0.8322 0.6733 0.7389 0.3104 0.7059 0.8565 0.6330 0.8294 0.8494 0.8389 0.7650 0.1002 0.3361 0.5126 0.5501 0.8512 0.8526 0.8496 0.3863 0.8128 0.8490 0.8154 0.6404 0.8465 0.7780 0.8162 0.8559 0.3605 0.8569 0.3823 0.8566 0.7988 0.4035 0.8389 0.3578 0.7298 0.8516 0.8424 0.8317 0.8094 0.8483 0.8571 0.8524 0.7128 0.8571 0.8532 0.3461 0.8271 0.3937 0.7043 0.3058 0.4279 0.7575 0.3009 0.4694 0.2916 0.2403 0.0498 0.3836 0.6332 0.2589 0.8525 0.8569 0.0401 0.1456 0.2522 0.7330 0.8505 0.8545 0.4911 0.6468 0.8442 0.8539 0.3620 0.2100 0.2924 0.2256 0.3429 0.8015 0.8465 0.8135 0.8270 0.2316
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 6 6 7 6 6 6 7 7 6 8 6 16 6 7 7 6 7 6 6 6 6 6 6 6 6 1 6 6 6 8 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
12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 14.00307 14.00307 12.00000 15.99491 12.00000 31.97207 12.00000 14.00307 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 15.99491 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
8087.3189 29913.9476 35952.1929
0.99997 -0.00731 0.00212 0.00731 0.99997 0.00323 -0.00214 -0.00321 0.99999
1
0.01071 0.00290 0.00241
0.22316 0.06033 0.05020
14.44 16.16 24.46 33.78 47.25 56.75 73.88 82.85 94.54 107.34 108.03 116.12 124.47 143.50 150.40 166.46 188.78 208.90 229.69 240.67 249.82 266.61 277.61 296.99 360.85 379.70 382.43 400.92 442.28 453.07 481.48 511.10 527.26 546.62 582.63 593.31 665.50 709.06 723.61 756.27 786.79 831.11 838.26 906.06 934.82 941.07 953.07 968.35 990.45 1005.88 1042.30 1058.13 1071.76 1105.00 1114.16 1172.71 1203.83 1233.36 1250.61 1255.29 1297.04 1298.81 1315.65 1323.61 1365.90 1405.09 1419.11 1433.31 1434.83 1442.60 1467.56 1468.92 1480.85 1518.05 1539.60 1565.83 1607.79 1614.11 1633.98 1664.80 1693.16 1697.03 1715.20 1716.51 1721.88 1738.47 1739.34 1761.13 1775.52 1793.39 1795.57 1800.79 1805.16 1812.12 1842.33 1856.15 1874.49 1888.36 1889.81 1893.46 1899.31 1905.45 1916.41 1921.25 1950.86 1984.57 2020.23 2061.57 2077.65 2124.84 2138.80 2150.53 2158.69 2167.18 2192.11 2222.67 2230.08 2234.04 2266.05 2271.07 2277.37 2285.86 2304.50 2306.11 2315.40 2315.49 2342.20 2345.90 2349.99 2352.75 2361.82 2368.82 2376.53 2396.92 2400.28 2429.59 2438.40 2470.81 2507.81 2548.53 2598.34 2865.61 3734.56 4600.26 4606.75 4619.65 4624.64 4646.54 4654.16 4665.20 4693.22 4702.21 4702.77 4714.97 4717.22 4733.21 4738.69 4769.06 4770.09 4774.46 4775.58 4778.85 4787.00 4798.74 4814.64 4857.86 4892.21 4898.75 4924.51 4929.30 5510.64
0.522356
0.552162
0.553106
0.454396
-1722.731730
-1722.701924
-1722.700980
-1722.799689
3.310716D-04
MUNgauss
RevisionA2.1
retrievium
13-Feb-2021
DUDE Cc1c(n(c(c1C#N)NC(=O)CSc2nnc(n2C3CC3)C4CC4)C[C@@H]5CCCO5)C C24505852
RHF
6-31G(d)
(6D,10F)
C1
440.199446
|X|Y|Z|
63.753409 126.303305 27.138562
60.233068
26
|36.858105|
|12.686703|36.858105|
|7.380144|14.042771|36.858105|
|5.150849|8.556198|13.736839|53.358707|
|5.147708|8.441957|8.535827|19.120679|36.858105|
|7.332880|13.282959|8.519701|11.765655|14.004749|36.858105|
|6.076206|7.452863|5.260467|7.229042|7.673474|13.337548|36.858105|
|4.907605|5.292702|4.020281|5.504226|5.373055|7.425264|16.746039|53.358707|
|3.788315|5.248464|5.353299|10.815190|13.667097|7.626191|6.152125|6.629788|53.358707|
|3.295201|4.241951|4.177374|7.477511|7.811918|5.850587|5.474624|6.396187|18.973929|36.858105|
|3.406884|4.273680|4.070265|6.801275|6.753109|5.767827|5.620253|6.672267|11.466850|15.982302|73.516695|
|2.642331|3.228862|3.233652|5.544580|5.097389|4.113470|4.041666|5.083764|10.815297|12.559468|14.161791|36.858105|
|2.279578|2.662003|2.630865|4.246598|3.690307|3.236740|3.304209|4.356524|6.522428|6.992742|11.786971|10.519891|388.023441|
|1.941993|2.230480|2.235184|3.562752|2.974882|2.626796|2.664113|3.551056|5.114885|4.688612|7.504285|7.115871|76.948423|36.858105|
|1.903512|2.195424|2.224840|3.572451|2.948189|2.569659|2.571850|3.401635|5.112471|4.373497|6.663164|6.696351|49.803763|14.874704|53.358707|
|1.675611|1.898147|1.924911|3.023483|2.437863|2.171425|2.180130|2.912813|4.037238|3.330002|5.283488|4.523275|35.113603|8.917032|18.952437|53.358707|
|1.598840|1.792790|1.805568|2.800321|2.255263|2.040118|2.067025|2.786417|3.663286|3.084816|5.084940|4.030620|35.105057|8.862054|12.092188|20.247084|36.858105|
|1.724129|1.940952|1.939909|3.019139|2.469161|2.235764|2.282818|3.083333|4.048907|3.574804|6.020021|4.748121|49.183688|13.953392|11.903254|11.914868|13.880990|53.358707|
|1.654512|1.838852|1.825956|2.795567|2.271647|2.096196|2.154905|2.933559|3.615102|3.201545|5.674736|3.921792|41.970954|7.572847|7.274667|7.275058|7.547984|18.077712|36.858105|
|1.529489|1.672461|1.643802|2.473256|2.005907|1.891588|1.974897|2.734299|3.122440|2.695674|4.823791|3.173688|30.934068|5.160483|5.590868|5.853107|5.814650|10.218805|12.713048|36.858105|
|1.714258|1.886315|1.839604|2.781378|2.292362|2.164011|2.278690|3.160290|3.597004|3.224502|5.928693|3.773658|40.839352|5.903059|5.884196|5.578021|5.105735|10.220266|12.715931|12.776334|36.858105|
|1.423331|1.574558|1.586134|2.420812|1.920301|1.761989|1.785753|2.419151|3.031431|2.494604|4.196293|3.072107|25.913465|5.310496|7.235395|10.560263|12.869497|10.277519|6.157380|5.626665|4.388843|36.858105|
|1.340013|1.480684|1.507947|2.296237|1.788968|1.634724|1.633507|2.193262|2.790320|2.255517|3.799173|2.710056|22.003869|4.191867|5.902935|8.053413|7.398010|7.178940|4.644021|4.179189|3.463157|12.612386|36.858105|
|1.331586|1.467396|1.485075|2.255817|1.770133|1.626571|1.639896|2.217526|2.766329|2.213203|3.689085|2.676967|21.112906|4.068136|6.020956|8.758931|7.427462|6.729926|4.156183|3.961251|3.280772|12.720645|12.780225|36.858105|
|3.768977|5.246601|7.529994|17.877058|7.654109|5.284475|3.866299|4.306482|8.906506|4.885469|7.668867|3.971192|21.718331|2.650324|3.685708|3.135977|2.113041|3.059009|2.061308|1.803757|2.002220|1.829101|1.761559|1.716530|36.858105|
|3.263497|4.262372|5.561187|10.402339|5.755964|4.326855|3.385110|3.891475|7.434313|4.097060|6.234892|3.640899|19.738230|2.533715|3.648771|3.145155|2.079435|2.935889|1.947653|1.717704|1.872360|1.808399|1.751090|1.727383|12.504303|36.858105|
|3.497384|4.498914|5.945307|9.684696|5.317965|4.316399|3.370197|3.876125|6.401826|3.575230|5.586723|3.161558|17.576926|2.263832|3.244082|2.836074|1.888802|2.659183|1.779459|1.590996|1.728278|1.660041|1.605156|1.593999|8.893392|17.519895|0.500000|
|2.628158|3.227104|4.010236|6.725913|4.037421|3.240833|2.680647|3.187225|5.514032|3.349756|5.219726|3.161784|17.957369|2.388963|3.479862|3.072629|2.028759|2.816169|1.868379|1.645688|1.766856|1.786533|1.764213|1.727210|7.437605|12.481358|0.245277|36.858105|
|2.351007|2.814345|3.302084|5.368389|3.504991|2.895541|2.489923|3.021593|4.992932|3.073409|4.720965|3.047464|17.253289|2.381351|3.572022|3.195636|2.071440|2.813984|1.839987|1.631487|1.728653|1.828709|1.808461|1.797542|5.092317|8.047331|0.190528|12.459328|36.858105|
|2.502168|3.055058|3.480392|5.919308|4.129084|3.306859|2.867757|3.470662|6.286723|3.731622|5.474934|3.792162|20.209830|2.794809|4.288421|3.724060|2.360231|3.212086|2.057694|1.813075|1.933813|2.037160|1.976904|1.988842|5.310358|8.138545|0.183591|7.995192|12.439895|36.858105|
|3.050867|3.937300|4.634232|8.677635|5.908036|4.355093|3.566421|4.153096|8.852080|4.673934|6.676316|4.366971|22.200416|2.899350|4.299031|3.628904|2.341395|3.282257|2.126113|1.866568|2.032255|2.001959|1.916264|1.914521|7.929985|13.479752|0.259202|8.182484|8.075859|13.428600|73.516695|
|5.829424|7.357499|12.711481|10.301097|5.211554|5.127731|3.763086|4.212918|5.299562|3.230164|5.642506|2.654008|15.907587|1.952657|2.659136|2.345663|1.623171|2.347770|1.634341|1.479845|1.634897|1.445998|1.391767|1.365647|6.295564|5.061139|0.158190|3.981917|3.203300|3.159786|7.030141|36.858105|
|17.550356|8.883830|5.849262|6.084948|4.628762|6.471636|5.943843|6.839232|4.831684|3.236288|6.179593|2.588841|16.320495|1.932457|2.544249|2.243803|1.588401|2.350491|1.676158|1.555117|1.754999|1.417218|1.330980|1.318137|3.383670|2.891479|0.083760|2.386642|2.139365|2.276360|4.860407|4.806388|0.500000|
|17.554268|8.885149|5.773570|6.048011|4.648024|6.589608|6.202010|7.183594|4.866955|3.111043|5.617844|2.551940|15.628595|1.895141|2.543058|2.247169|1.571634|2.295010|1.612435|1.502218|1.675761|1.401543|1.314494|1.316230|3.362833|3.050173|0.091675|2.471045|2.269505|2.442260|5.223388|4.705239|0.302688|0.500000|
|17.596951|8.847089|6.899598|6.351773|4.328954|5.464224|4.546437|5.227543|4.485436|2.881272|5.254041|2.368379|14.675141|1.785573|2.394346|2.127325|1.492148|2.174600|1.536055|1.422245|1.580448|1.338030|1.269470|1.258729|3.605591|3.164212|0.096010|2.597842|2.306920|2.393956|5.109895|6.548148|0.302031|0.302110|0.500000|
|3.385607|4.528332|4.795341|9.492215|9.342549|5.975771|5.009722|5.670328|25.973644|9.277693|10.805915|7.618177|31.732675|3.779442|5.411640|4.260683|2.763329|4.048691|2.595737|2.242926|2.530008|2.279577|2.108897|2.108397|6.568321|6.288285|0.145348|4.583078|4.318952|5.926600|15.779859|3.671820|0.086763|0.090552|0.083843|0.500000|
|2.490565|3.050825|3.173067|5.542579|4.764892|3.732160|3.509793|4.359850|9.788959|8.861013|10.886831|17.620698|56.437340|6.858168|9.930299|6.610473|4.139527|6.310739|3.737561|2.991480|3.418996|3.149766|2.853868|2.789786|4.260877|4.013216|0.093710|3.586253|3.478924|4.404638|8.761236|2.662455|0.067037|0.066496|0.063073|0.216223|0.500000|
|2.585992|3.112759|3.055813|5.108233|4.737712|3.987838|4.087988|5.294603|9.632808|8.893320|11.035788|17.611663|56.366481|6.634115|9.280386|6.323487|4.022628|6.204223|3.695568|3.108898|3.611176|3.070256|2.663009|2.716406|3.589666|3.449438|0.085236|2.981691|2.976499|3.794371|7.601001|2.513424|0.069851|0.070876|0.064170|0.203564|0.303710|0.500000|
|1.613927|1.793650|1.797688|2.749317|2.200394|2.021157|2.047851|2.760000|3.463334|3.042746|5.451867|3.623657|37.384887|6.222950|6.372135|6.398401|6.284296|12.301968|17.713141|8.634222|8.637822|5.558233|4.679996|3.905486|2.050242|1.924604|0.048684|1.866785|1.822226|2.009490|3.684876|1.623235|0.045477|0.043401|0.041863|0.068937|0.098595|0.092345|0.500000|
|1.430752|1.553332|1.530755|2.284627|1.831719|1.735890|1.802967|2.492036|2.808038|2.390749|4.316540|2.740225|25.709349|4.115401|4.656176|4.930904|4.730455|7.603559|8.620803|17.717381|8.562827|4.986587|3.994431|3.674518|1.671906|1.591182|0.041083|1.535627|1.518181|1.666599|3.040764|1.390811|0.040506|0.038967|0.037158|0.055994|0.072706|0.074045|0.213165|0.500000|
|1.498432|1.634335|1.601299|2.404963|1.956106|1.851377|1.945809|2.712342|3.048656|2.594764|4.569070|3.080466|28.591143|4.961864|5.654795|6.126563|6.047283|9.515264|8.612717|17.726494|8.664818|6.023422|4.216472|4.298978|1.749685|1.685649|0.043556|1.612690|1.616231|1.806634|3.284013|1.440675|0.042141|0.041165|0.038684|0.061415|0.080612|0.086418|0.171536|0.292324|0.500000|
|1.823006|2.009335|1.937446|2.933389|2.462670|2.340730|2.512455|3.530587|3.900393|3.537842|6.477940|4.177983|45.372227|6.199918|6.180897|5.625676|4.879567|9.502715|8.606362|8.650712|17.747937|4.037121|3.167961|3.121847|2.081894|1.949683|0.050139|1.815044|1.781922|2.018074|3.800868|1.702313|0.051827|0.049798|0.046309|0.075842|0.101163|0.114327|0.171593|0.171090|0.213939|0.500000|
|1.715681|1.876735|1.827593|2.740532|2.243895|2.135338|2.243031|3.105821|3.457642|3.098077|5.885515|3.460268|36.472486|4.774697|4.952689|4.657119|4.096582|7.612635|8.638461|8.566061|17.727614|3.656109|3.055557|2.842864|1.965816|1.816093|0.046676|1.714026|1.658415|1.834784|3.453093|1.630706|0.049204|0.046319|0.044009|0.066707|0.087338|0.090128|0.213768|0.208063|0.171186|0.292926|0.500000|
|1.381926|1.516908|1.517011|2.294814|1.825020|1.694544|1.733005|2.367015|2.850616|2.357139|4.034500|2.841348|24.534101|4.718063|6.045427|7.824541|8.790101|9.326163|6.584075|6.997394|4.833414|17.751375|8.640321|8.648493|1.716374|1.684428|0.043233|1.653696|1.680963|1.862554|3.288065|1.383804|0.038431|0.037846|0.036061|0.058869|0.079037|0.078961|0.160702|0.176325|0.217463|0.120098|0.110721|0.500000|
|1.263980|1.387111|1.410815|2.130199|1.651129|1.520518|1.520965|2.046825|2.542181|2.050019|3.500350|2.405935|19.630903|3.540635|4.824385|6.099536|5.507734|6.010308|4.240806|4.001311|3.259362|8.570572|17.707473|8.582058|1.629864|1.612448|0.041273|1.627516|1.657619|1.790586|3.100354|1.309866|0.034993|0.034413|0.033361|0.052974|0.069681|0.065374|0.122633|0.111915|0.110265|0.081545|0.081734|0.213333|0.500000|
|1.383320|1.538980|1.581334|2.426148|1.877047|1.696350|1.676295|2.230479|2.941548|2.368172|3.955700|2.859230|22.782902|4.336159|6.283576|8.406497|6.963033|6.996042|4.385262|3.733378|3.274339|8.591602|17.723556|8.634171|1.885503|1.878604|0.047452|1.912998|1.960971|2.136823|3.654381|1.462348|0.038045|0.037547|0.036470|0.062137|0.085788|0.076923|0.126629|0.098319|0.102080|0.083822|0.081424|0.171988|0.291995|0.500000|
|1.367842|1.514160|1.537857|2.347837|1.840914|1.681071|1.687830|2.273675|2.894650|2.287902|3.754641|2.794868|21.202781|4.114447|6.526418|9.914115|7.004246|6.337069|3.746455|3.481274|3.026745|8.652223|8.628151|17.749253|1.795898|1.830127|0.046823|1.835902|1.937295|2.161594|3.647096|1.412658|0.037400|0.037632|0.035921|0.062098|0.082112|0.079774|0.097366|0.088373|0.104687|0.082010|0.073167|0.172237|0.170879|0.212161|0.500000|
|1.251824|1.368452|1.379167|2.075757|1.625846|1.509108|1.529367|2.079998|2.510962|1.996338|3.356607|2.366299|18.577921|3.414721|4.932016|6.613686|5.527795|5.571346|3.649218|3.691497|3.011682|8.636473|8.604419|17.713416|1.570157|1.581000|0.040849|1.578643|1.643009|1.805109|3.095519|1.273272|0.034479|0.034475|0.032930|0.052941|0.067636|0.067102|0.095295|0.097709|0.113574|0.079831|0.073296|0.213872|0.209918|0.171179|0.291872|0.500000|
|3.336455|4.488262|5.744891|12.538927|7.149052|4.843928|3.723317|4.218867|9.845357|5.735121|8.792021|4.675688|25.144313|3.021186|4.176797|3.492264|2.348700|3.432659|2.298214|1.974774|2.206974|2.007968|1.933863|1.865891|17.614243|8.903635|0.174671|6.727448|4.835435|5.228205|13.044924|4.822489|0.086114|0.083478|0.087422|0.198945|0.144627|0.111793|0.063864|0.050646|0.052827|0.063425|0.060128|0.052054|0.049470|0.057947|0.054157|0.047019|0.500000|
|3.654529|4.842717|7.172621|12.582624|5.766227|4.501841|3.388329|3.843715|6.653842|3.988997|6.611152|3.324677|19.231081|2.368960|3.266091|2.834282|1.933377|2.791718|1.908925|1.681248|1.856549|1.697451|1.650115|1.598140|17.623546|8.907352|0.209333|6.925861|4.574489|4.372170|10.191585|7.270594|0.091866|0.088936|0.100884|0.133264|0.098298|0.083761|0.053231|0.043678|0.045141|0.053145|0.051086|0.044446|0.042749|0.049045|0.046199|0.040801|0.303356|0.500000|
|2.483765|3.041147|3.720836|6.348853|3.913029|3.109187|2.598795|3.106104|5.544353|3.500936|5.469462|3.355189|19.265028|2.566129|3.726069|3.278482|2.167715|3.017763|1.999684|1.739789|1.869969|1.901397|1.891202|1.827843|7.139255|8.829368|0.174155|17.526258|8.800392|6.802550|12.260718|3.642471|0.063815|0.064420|0.067742|0.125961|0.108541|0.085578|0.056013|0.045126|0.047032|0.052939|0.050470|0.048662|0.048390|0.057538|0.053838|0.046101|0.208989|0.187995|0.500000|
|2.564513|3.075675|3.857909|6.035980|3.558439|2.974806|2.469637|2.951596|4.674090|2.903779|4.659747|2.715074|15.930608|2.116905|3.047077|2.731897|1.827485|2.536775|1.705673|1.515987|1.622289|1.630627|1.618596|1.581459|6.280777|8.711516|0.218554|17.584338|8.665355|5.698130|10.359980|4.111310|0.064604|0.066659|0.071954|0.103944|0.083566|0.071393|0.047539|0.039566|0.041223|0.046121|0.044001|0.042197|0.041822|0.048545|0.046430|0.040430|0.151908|0.185956|0.301016|0.500000|
|2.085616|2.450751|2.821975|4.505925|3.009580|2.528820|2.220012|2.731903|4.358252|2.794176|4.338486|2.848541|16.574027|2.342747|3.544909|3.232034|2.089725|2.800398|1.827463|1.619071|1.697608|1.860749|1.866179|1.848330|4.173586|5.722995|0.138228|8.669536|17.592552|8.710580|10.412231|2.763002|0.053421|0.055995|0.056954|0.102831|0.091247|0.077073|0.050548|0.042005|0.044557|0.048234|0.045168|0.047239|0.047495|0.056667|0.055579|0.046841|0.115331|0.107576|0.217046|0.194100|0.500000|
|2.332804|2.743350|3.196958|4.969715|3.237092|2.763736|2.390946|2.915714|4.460910|2.746695|4.284371|2.692445|15.490885|2.135044|3.179052|2.877939|1.881125|2.552132|1.682847|1.510493|1.595600|1.677948|1.656534|1.657977|4.459007|6.838856|0.191046|8.825053|17.558080|8.796443|11.692714|3.175129|0.058452|0.063154|0.064264|0.105112|0.082990|0.074190|0.046161|0.039172|0.041728|0.045798|0.042610|0.043132|0.042416|0.049455|0.049524|0.042458|0.112868|0.114627|0.174008|0.217836|0.301922|0.500000|
|2.315781|2.804721|3.133888|5.347605|3.871964|3.097319|2.746342|3.365592|6.248662|3.904654|5.651859|4.221585|22.315699|3.181271|5.035376|4.329418|2.680420|3.607314|2.265850|1.970145|2.091967|2.282201|2.220472|2.229269|4.750856|6.255675|0.139499|6.506044|8.738085|17.573236|16.614385|2.827601|0.059517|0.062656|0.061167|0.163901|0.143871|0.116399|0.061470|0.050060|0.054518|0.060405|0.054687|0.057202|0.055242|0.067453|0.067966|0.055522|0.140552|0.109924|0.179102|0.133560|0.220885|0.174978|0.500000|
|2.426492|2.903526|3.207728|5.231515|3.769771|3.146638|2.801592|3.440632|5.660773|3.397682|5.032611|3.487166|18.848898|2.641996|4.080884|3.595670|2.273208|3.064942|1.962486|1.752710|1.857244|1.975510|1.905354|1.947542|4.339196|6.178505|0.158997|5.796677|8.682569|17.601857|16.552700|2.912613|0.061098|0.067060|0.064393|0.146067|0.108625|0.100851|0.052769|0.044721|0.048976|0.054181|0.048735|0.050327|0.047959|0.056641|0.059103|0.049439|0.116176|0.101851|0.137724|0.128269|0.189815|0.222427|0.301258|0.500000|
|4.714959|5.752271|8.829472|9.121597|4.687390|4.426277|3.364293|3.837653|5.012993|3.019758|5.136384|2.556251|15.192017|1.903018|2.627490|2.330099|1.600264|2.289643|1.581685|1.432987|1.568761|1.428954|1.382037|1.360444|6.364548|5.779621|0.198163|4.559041|3.625946|3.456854|7.606499|17.534187|0.108699|0.113921|0.144920|0.100541|0.072412|0.067908|0.043614|0.037415|0.038914|0.045304|0.043202|0.037825|0.036069|0.040446|0.039290|0.035230|0.131201|0.205023|0.110401|0.135654|0.085245|0.102370|0.083681|0.088564|0.500000|
|4.799054|5.817972|8.837129|9.027382|4.674743|4.443834|3.372016|3.840307|4.978546|3.144695|5.589525|2.598112|15.873680|1.943601|2.629173|2.325979|1.618959|2.348468|1.645492|1.483560|1.640047|1.446207|1.399863|1.362214|6.190325|4.705797|0.137499|3.936289|3.084375|2.984814|6.495511|17.530248|0.118820|0.108442|0.146745|0.095191|0.072972|0.067225|0.045781|0.038888|0.039876|0.047060|0.045716|0.038457|0.036706|0.040985|0.038999|0.035241|0.137829|0.223681|0.103757|0.114805|0.075318|0.083412|0.075691|0.075235|0.301440|0.500000|
|6.614713|6.947853|8.960477|7.631039|4.375866|4.654503|3.597344|4.109302|4.563942|2.860696|5.079455|2.379982|14.554855|1.794514|2.434320|2.165548|1.507648|2.178849|1.527668|1.396867|1.539839|1.352446|1.300197|1.279390|4.665078|4.001210|0.125391|3.286056|2.760907|2.733389|5.885389|17.626881|0.148118|0.145233|0.239869|0.087690|0.065568|0.063318|0.042078|0.036588|0.037847|0.044578|0.042790|0.036138|0.034126|0.037746|0.036660|0.033305|0.105952|0.143282|0.084112|0.094724|0.067236|0.077187|0.068545|0.071567|0.303039|0.303026|0.500000|
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