@MOLECULE 1-({3-(3-hydroxypropoxy)-2-propoxy-5-[(2s,5s)-5-(3,4,5-trimethoxyphenyl)tetrahydro-2-furanyl]phenyl}sulfonyl)acetone 77 79 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.7962 -1.5330 -0.4500 C.3 1 UNL1 0.1126 2 C -2.6245 -0.1410 -0.9176 C.3 1 UNL1 0.1107 3 C 1.6990 -1.6233 -0.4935 C.ar 1 UNL1 -0.1425 4 C 0.6257 0.4927 0.0110 C.ar 1 UNL1 -0.2295 5 C -4.9588 0.7379 -0.8526 C.ar 1 UNL1 -0.3717 6 C -4.4424 -1.3028 0.3597 C.ar 1 UNL1 -0.3297 7 C 5.4396 -1.6818 0.7654 C.3 1 UNL1 -0.7123 8 C 4.7351 1.8000 -0.7612 C.3 1 UNL1 -0.0218 9 C 0.9807 3.2375 0.6343 C.3 1 UNL1 -0.0540 10 C 5.8883 2.5060 -0.0500 C.3 1 UNL1 -0.2751 11 C 1.6267 4.6009 0.8686 C.3 1 UNL1 -0.3143 12 C 0.5710 5.6275 1.2819 C.3 1 UNL1 0.0088 13 C 5.4961 -4.0165 1.8356 C.3 1 UNL1 -0.5569 14 C -8.8339 -1.3472 0.2764 C.3 1 UNL1 -0.2158 15 C -6.9091 2.6494 -1.5220 C.3 1 UNL1 -0.2172 16 C -5.3959 -3.3878 1.9835 C.3 1 UNL1 -0.2127 17 C 6.3516 3.7020 -0.8759 C.3 1 UNL1 -0.4382 18 H 0.6932 7.5842 1.5877 H 1 UNL1 0.3117 19 C 2.9535 -1.0268 -0.3752 C.ar 1 UNL1 -0.3991 20 C 3.0460 0.3200 -0.0517 C.ar 1 UNL1 0.1773 21 C 0.5455 -0.8655 -0.3057 C.ar 1 UNL1 -0.0356 22 C 1.8739 1.0909 0.1301 C.ar 1 UNL1 0.1499 23 C -4.0506 -0.2401 -0.4469 C.ar 1 UNL1 0.0698 24 C -6.7085 -0.4121 0.3943 C.ar 1 UNL1 -0.0232 25 C -6.2874 0.6449 -0.4323 C.ar 1 UNL1 0.2416 26 C -5.7737 -1.3883 0.7762 C.ar 1 UNL1 0.2310 27 O 5.0677 -1.4404 -1.8405 O.2 1 UNL1 -0.8910 28 O 4.0130 -3.3800 -0.6482 O.2 1 UNL1 -0.9329 29 O 7.4362 -2.9004 1.0655 O.2 1 UNL1 -0.4597 30 C -1.1436 -1.7962 -1.9287 C.3 1 UNL1 -0.3076 31 C -2.3873 -0.9436 -2.2106 C.3 1 UNL1 -0.3031 32 O 1.2554 6.8707 1.2326 O.3 1 UNL1 -0.5464 33 C 6.2391 -2.8850 1.2016 C.2 1 UNL1 0.5376 34 O 4.2743 0.8450 0.2169 O.3 1 UNL1 -0.3929 35 O 2.1163 2.3936 0.4118 O.3 1 UNL1 -0.3143 36 O -7.9776 -0.3935 0.9052 O.3 1 UNL1 -0.2713 37 O -7.2808 1.5084 -0.7582 O.3 1 UNL1 -0.2618 38 O -6.2958 -2.3771 1.5431 O.3 1 UNL1 -0.2765 39 O -1.8043 -0.7029 0.1046 O.3 1 UNL1 -0.4115 40 S 4.4112 -1.9847 -0.6748 S.O2 1 UNL1 2.2715 41 H -0.8509 -2.4543 0.1752 H 1 UNL1 0.1447 42 H 1.6143 -2.6898 -0.7324 H 1 UNL1 0.1834 43 H -0.2915 1.0559 0.1777 H 1 UNL1 0.1791 44 H -2.2946 0.9169 -1.0174 H 1 UNL1 0.1299 45 H -0.3091 -1.5245 -2.5986 H 1 UNL1 0.1566 46 H -1.3397 -2.8662 -2.1058 H 1 UNL1 0.1488 47 H -3.2586 -1.5771 -2.4559 H 1 UNL1 0.1587 48 H -2.2414 -0.2772 -3.0751 H 1 UNL1 0.1465 49 H 4.8329 -1.3042 1.6116 H 1 UNL1 0.1988 50 H 6.1348 -0.8379 0.5346 H 1 UNL1 0.2204 51 H -4.6312 1.5542 -1.4836 H 1 UNL1 0.1672 52 H -3.7042 -2.0379 0.6685 H 1 UNL1 0.1838 53 H 3.9235 2.4933 -1.0333 H 1 UNL1 0.1297 54 H 5.0608 1.2237 -1.6485 H 1 UNL1 0.1515 55 H 0.4280 2.8726 1.5180 H 1 UNL1 0.1358 56 H 0.3298 3.2271 -0.2568 H 1 UNL1 0.1297 57 H 6.1810 -4.7372 2.3033 H 1 UNL1 0.1727 58 H 4.7775 -3.6874 2.5929 H 1 UNL1 0.1661 59 H 4.9202 -4.5779 1.0698 H 1 UNL1 0.2166 60 H 5.5627 2.8298 0.9590 H 1 UNL1 0.1520 61 H 6.7239 1.7989 0.1180 H 1 UNL1 0.1506 62 H 2.4204 4.5303 1.6413 H 1 UNL1 0.1727 63 H 2.1552 4.9493 -0.0433 H 1 UNL1 0.1721 64 H -8.4772 -2.3657 0.4567 H 1 UNL1 0.1349 65 H -9.7901 -1.1737 0.7840 H 1 UNL1 0.1476 66 H -8.9203 -1.1426 -0.7938 H 1 UNL1 0.1275 67 H -7.8660 3.1821 -1.6120 H 1 UNL1 0.1538 68 H -6.1806 3.2640 -0.9845 H 1 UNL1 0.1356 69 H -6.5391 2.3576 -2.5091 H 1 UNL1 0.1331 70 H -4.9889 -3.9477 1.1367 H 1 UNL1 0.1327 71 H -4.5994 -2.9616 2.6019 H 1 UNL1 0.1404 72 H -6.0515 -4.0266 2.5909 H 1 UNL1 0.1535 73 H -0.2758 5.6650 0.5734 H 1 UNL1 0.1124 74 H 0.1988 5.4529 2.3066 H 1 UNL1 0.1149 75 H 6.6889 3.3960 -1.8738 H 1 UNL1 0.1479 76 H 5.5510 4.4397 -1.0063 H 1 UNL1 0.1456 77 H 7.1908 4.2149 -0.3907 H 1 UNL1 0.1490 @BOND 1 48 31 1 2 45 30 1 3 69 15 1 4 47 31 1 5 31 30 1 6 31 2 1 7 46 30 1 8 30 1 1 9 75 17 1 10 27 40 2 11 54 8 1 12 67 15 1 13 15 68 1 14 15 37 1 15 51 5 1 16 53 8 1 17 44 2 1 18 76 17 1 19 2 23 1 20 2 39 1 21 17 77 1 22 17 10 1 23 5 23 ar 24 5 25 ar 25 66 14 1 26 8 10 1 27 8 34 1 28 37 25 1 29 42 3 1 30 40 28 2 31 40 19 1 32 40 7 1 33 3 19 ar 34 3 21 ar 35 1 21 1 36 1 39 1 37 1 41 1 38 23 6 ar 39 25 24 ar 40 19 20 ar 41 21 4 ar 42 56 9 1 43 20 22 ar 44 20 34 1 45 10 61 1 46 10 60 1 47 63 11 1 48 4 22 ar 49 4 43 1 50 22 35 1 51 14 64 1 52 14 65 1 53 14 36 1 54 6 52 1 55 6 26 ar 56 24 26 ar 57 24 36 1 58 35 9 1 59 50 7 1 60 73 12 1 61 9 11 1 62 9 55 1 63 7 33 1 64 7 49 1 65 26 38 1 66 11 12 1 67 11 62 1 68 29 33 2 69 59 13 1 70 70 16 1 71 33 13 1 72 32 12 1 73 32 18 1 74 12 74 1 75 38 16 1 76 13 57 1 77 13 58 1 78 16 72 1 79 16 71 1