@MOLECULE 2-[3-methoxy-5-(methylsulfonyl)-4-propoxyphenyl]-5-(3,4,5-trimethoxyphenyl)tetrahydrofuran 65 67 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 7.3063 1.3029 -1.4084 C.3 1 UNL1 -0.4452 2 C 7.1723 1.7235 0.0517 C.3 1 UNL1 -0.2709 3 C 5.7115 1.9793 0.4240 C.3 1 UNL1 -0.0353 4 O 5.1995 0.6556 0.6583 O.3 1 UNL1 -0.3058 5 C 3.8836 0.4393 0.4638 C.ar 1 UNL1 0.2321 6 C 2.8665 1.4049 0.6986 C.ar 1 UNL1 0.1051 7 C 1.5346 1.0740 0.5342 C.ar 1 UNL1 -0.2008 8 C 1.1943 -0.2247 0.1367 C.ar 1 UNL1 -0.0544 9 C 2.1803 -1.1786 -0.0714 C.ar 1 UNL1 -0.1455 10 C 3.5317 -0.8543 0.0811 C.ar 1 UNL1 -0.4230 11 S 4.8079 -2.0446 -0.2489 S.O2 1 UNL1 2.2618 12 O 5.4386 -1.6667 -1.4996 O.2 1 UNL1 -0.9248 13 O 5.5984 -2.2402 0.9453 O.2 1 UNL1 -0.8970 14 C 3.9747 -3.6008 -0.5533 C.3 1 UNL1 -0.7519 15 C -0.2471 -0.5833 -0.0971 C.3 1 UNL1 0.1168 16 C -0.6362 -0.3794 -1.5758 C.3 1 UNL1 -0.3077 17 C -1.3880 0.9586 -1.5749 C.3 1 UNL1 -0.3027 18 C -1.9174 1.0681 -0.1317 C.3 1 UNL1 0.1144 19 O -1.0646 0.2806 0.6904 O.3 1 UNL1 -0.4095 20 C -3.3334 0.5574 -0.0435 C.ar 1 UNL1 0.0615 21 C -4.3679 1.4039 -0.4639 C.ar 1 UNL1 -0.3802 22 C -5.6769 0.9358 -0.4358 C.ar 1 UNL1 0.2458 23 C -5.9771 -0.3692 0.0123 C.ar 1 UNL1 -0.0558 24 C -4.9280 -1.1898 0.4330 C.ar 1 UNL1 0.2479 25 C -3.5996 -0.7206 0.4116 C.ar 1 UNL1 -0.2903 26 O -5.0063 -2.4642 0.8785 O.3 1 UNL1 -0.2984 27 C -6.2758 -3.1056 0.8745 C.3 1 UNL1 -0.1910 28 O -7.2444 -0.8824 -0.0704 O.3 1 UNL1 -0.3008 29 C -8.1784 -0.2317 0.7909 C.3 1 UNL1 -0.2122 30 O -6.7709 1.6431 -0.8171 O.3 1 UNL1 -0.2917 31 C -6.5580 2.9901 -1.2219 C.3 1 UNL1 -0.2087 32 O 3.3307 2.6295 1.0770 O.3 1 UNL1 -0.3189 33 C 2.3557 3.6108 1.4030 C.3 1 UNL1 -0.2029 34 H 8.3472 1.0893 -1.6703 H 1 UNL1 0.1392 35 H 6.9349 2.0669 -2.0958 H 1 UNL1 0.1316 36 H 6.7341 0.3769 -1.6049 H 1 UNL1 0.1901 37 H 7.7721 2.6286 0.2564 H 1 UNL1 0.1359 38 H 7.5814 0.9233 0.7088 H 1 UNL1 0.1679 39 H 5.1544 2.4840 -0.3807 H 1 UNL1 0.1329 40 H 5.6039 2.5347 1.3724 H 1 UNL1 0.1327 41 H 0.7387 1.7940 0.7194 H 1 UNL1 0.1747 42 H 1.8728 -2.1830 -0.3656 H 1 UNL1 0.1543 43 H 3.4071 -3.5942 -1.4887 H 1 UNL1 0.1774 44 H 3.3127 -3.8936 0.2673 H 1 UNL1 0.1782 45 H 4.7195 -4.4040 -0.6469 H 1 UNL1 0.1876 46 H -0.4851 -1.6040 0.2759 H 1 UNL1 0.1404 47 H -1.2866 -1.1983 -1.9286 H 1 UNL1 0.1519 48 H 0.2400 -0.3638 -2.2421 H 1 UNL1 0.1535 49 H -2.1977 0.9815 -2.3217 H 1 UNL1 0.1588 50 H -0.7130 1.7962 -1.8140 H 1 UNL1 0.1433 51 H -1.8289 2.0897 0.2981 H 1 UNL1 0.1405 52 H -4.1368 2.4035 -0.8093 H 1 UNL1 0.1672 53 H -2.8016 -1.3723 0.7646 H 1 UNL1 0.1906 54 H -6.0187 -4.1196 1.2064 H 1 UNL1 0.1430 55 H -6.7053 -3.1215 -0.1332 H 1 UNL1 0.1472 56 H -6.9557 -2.6220 1.5816 H 1 UNL1 0.1381 57 H -9.0416 -0.9063 0.7581 H 1 UNL1 0.1427 58 H -8.4437 0.7494 0.3832 H 1 UNL1 0.1415 59 H -7.7920 -0.1349 1.8081 H 1 UNL1 0.1295 60 H -7.5775 3.3219 -1.4600 H 1 UNL1 0.1504 61 H -5.9259 3.0351 -2.1142 H 1 UNL1 0.1367 62 H -6.1416 3.5841 -0.4026 H 1 UNL1 0.1354 63 H 2.9806 4.4581 1.7179 H 1 UNL1 0.1548 64 H 1.7215 3.2764 2.2311 H 1 UNL1 0.1405 65 H 1.7601 3.8769 0.5250 H 1 UNL1 0.1311 @BOND 1 49 17 1 2 48 16 1 3 61 31 1 4 35 1 1 5 47 16 1 6 50 17 1 7 34 1 1 8 36 1 1 9 16 17 1 10 16 15 1 11 17 18 1 12 12 11 2 13 43 14 1 14 60 31 1 15 1 2 1 16 31 30 1 17 31 62 1 18 30 22 1 19 52 21 1 20 45 14 1 21 14 11 1 22 14 44 1 23 21 22 ar 24 21 20 ar 25 22 23 ar 26 39 3 1 27 42 9 1 28 11 10 1 29 11 13 2 30 55 27 1 31 18 20 1 32 18 51 1 33 18 19 1 34 15 8 1 35 15 46 1 36 15 19 1 37 9 10 ar 38 9 8 ar 39 28 23 1 40 28 29 1 41 20 25 ar 42 23 24 ar 43 2 37 1 44 2 3 1 45 2 38 1 46 10 5 ar 47 8 7 ar 48 58 29 1 49 25 24 ar 50 25 53 1 51 3 4 1 52 3 40 1 53 24 26 1 54 5 4 1 55 5 6 ar 56 65 33 1 57 7 6 ar 58 7 41 1 59 6 32 1 60 57 29 1 61 29 59 1 62 27 26 1 63 27 54 1 64 27 56 1 65 32 33 1 66 33 63 1 67 33 64 1