@MOLECULE 4-{[(5r,7s)-1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxido-2-thia-1,3,8-triazaspiro[4.5]dec-8-yl]methyl}-2-isopropoxyphenol 65 68 0 0 0 SMALL GASTEIGER @ATOM 1 C 3.2580 2.8263 1.5150 C.ar 1 UNL1111111111 -0.0833 2 C -3.3018 2.2363 0.1473 C.ar 1 UNL1111111111 -0.1488 3 C 3.3105 1.4687 1.2112 C.ar 1 UNL1111111111 -0.2476 4 C -4.4606 2.3166 -0.6233 C.ar 1 UNL1111111111 -0.2119 5 C 2.8130 3.7526 0.5743 C.ar 1 UNL1111111111 -0.2455 6 C -3.5792 -0.1627 0.3864 C.ar 1 UNL1111111111 -0.1769 7 C 2.4946 1.9327 -1.0336 C.ar 1 UNL1111111111 -0.2527 8 C -2.8633 1.0102 0.6473 C.ar 1 UNL1111111111 -0.0357 9 C 2.9115 1.0173 -0.0559 C.ar 1 UNL1111111111 0.2467 10 C -5.1764 1.1502 -0.8797 C.ar 1 UNL1111111111 0.2085 11 C -4.7366 -0.0881 -0.3738 C.ar 1 UNL1111111111 0.0807 12 C 2.4490 3.2789 -0.6848 C.ar 1 UNL1111111111 0.2107 13 C 0.5784 -0.7945 -1.0768 C.3 1 UNL1111111111 -0.3106 14 C 1.3659 -1.4174 1.2376 C.3 1 UNL1111111111 -0.3516 15 C 2.2844 -2.6221 -0.7996 C.3 1 UNL1111111111 -0.1520 16 C -0.2689 0.3057 -0.4248 C.3 1 UNL1111111111 -0.1182 17 C 0.5129 -0.2625 1.8077 C.3 1 UNL1111111111 0.0713 18 C 1.7874 -1.2308 -0.2326 C.3 1 UNL1111111111 0.2560 19 C 0.1056 -0.6431 3.2423 C.3 1 UNL1111111111 -0.4732 20 C -7.0342 -1.2044 1.0705 C.3 1 UNL1111111111 -0.5024 21 C -6.5682 -3.1838 -0.4489 C.3 1 UNL1111111111 -0.4738 22 C 4.3969 -3.7169 -1.3994 C.3 1 UNL1111111111 -0.2436 23 C -1.6163 0.9373 1.4886 C.3 1 UNL1111111111 -0.1265 24 C -5.9802 -1.9890 0.2968 C.3 1 UNL1111111111 0.1699 25 N 2.9635 -0.3528 -0.4309 N.pl3 1 UNL1111111111 -0.8048 26 N 3.7146 -2.7994 -0.4764 N.3 1 UNL1111111111 -0.6761 27 N -0.6892 -0.0931 0.9431 N.3 1 UNL1111111111 -0.4369 28 O 5.3586 -0.9486 -1.3346 O.2 1 UNL1111111111 -0.8587 29 O 4.9217 -1.0985 1.1113 O.2 1 UNL1111111111 -0.8683 30 O -6.2989 1.2566 -1.6346 O.3 1 UNL1111111111 -0.4576 31 O -5.4599 -1.1794 -0.7724 O.3 1 UNL1111111111 -0.3951 32 F 2.0356 4.1497 -1.5935 F 1 UNL1111111111 -0.1718 33 S 4.4670 -1.2347 -0.2462 S.O2 1 UNL1111111111 2.4169 34 H 3.5715 3.1685 2.5021 H 1 UNL1111111111 0.1571 35 H -2.7365 3.1443 0.3529 H 1 UNL1111111111 0.1570 36 H 3.6746 0.7592 1.9606 H 1 UNL1111111111 0.1946 37 H -4.8105 3.2655 -1.0230 H 1 UNL1111111111 0.1756 38 H 2.7632 4.8120 0.8145 H 1 UNL1111111111 0.1741 39 H -3.2091 -1.1183 0.7576 H 1 UNL1111111111 0.1797 40 H 2.2303 1.5875 -2.0328 H 1 UNL1111111111 0.1912 41 H -0.0752 -1.6772 -1.2431 H 1 UNL1111111111 0.1582 42 H 0.9123 -0.4527 -2.0760 H 1 UNL1111111111 0.1577 43 H 2.2554 -1.5684 1.8807 H 1 UNL1111111111 0.1662 44 H 0.7723 -2.3518 1.3207 H 1 UNL1111111111 0.1630 45 H 1.7172 -3.4527 -0.3271 H 1 UNL1111111111 0.1554 46 H 2.0846 -2.6736 -1.8917 H 1 UNL1111111111 0.1398 47 H 0.2699 1.2763 -0.4324 H 1 UNL1111111111 0.1254 48 H -1.1893 0.4527 -1.0391 H 1 UNL1111111111 0.1556 49 H 1.1205 0.6776 1.8418 H 1 UNL1111111111 0.1218 50 H 0.9672 -1.0136 3.8088 H 1 UNL1111111111 0.1513 51 H -0.2987 0.2105 3.7945 H 1 UNL1111111111 0.1439 52 H -0.6559 -1.4333 3.2363 H 1 UNL1111111111 0.1609 53 H -6.5936 -0.3339 1.5743 H 1 UNL1111111111 0.1614 54 H -7.8230 -0.8270 0.4086 H 1 UNL1111111111 0.1591 55 H -7.5133 -1.8242 1.8357 H 1 UNL1111111111 0.1560 56 H -7.3479 -2.8728 -1.1551 H 1 UNL1111111111 0.1594 57 H -5.7961 -3.7012 -1.0335 H 1 UNL1111111111 0.1608 58 H -7.0099 -3.9048 0.2461 H 1 UNL1111111111 0.1536 59 H 4.4611 -3.3552 -2.4411 H 1 UNL1111111111 0.1397 60 H 5.4257 -3.9084 -1.0402 H 1 UNL1111111111 0.1574 61 H 3.8734 -4.6897 -1.4000 H 1 UNL1111111111 0.1459 62 H -1.1320 1.9350 1.5795 H 1 UNL1111111111 0.1230 63 H -1.9104 0.6313 2.5209 H 1 UNL1111111111 0.1553 64 H -5.1347 -2.2923 0.9523 H 1 UNL1111111111 0.1234 65 H -6.7071 0.3575 -1.7663 H 1 UNL1111111111 0.3392 @BOND 1 1 5 ar 2 1 34 1 3 2 4 ar 4 2 35 1 5 3 1 ar 6 3 9 ar 7 3 36 1 8 4 10 ar 9 4 37 1 10 5 12 ar 11 5 38 1 12 6 11 ar 13 6 39 1 14 7 12 ar 15 7 40 1 16 8 6 ar 17 8 2 ar 18 9 25 1 19 9 7 ar 20 10 30 1 21 11 31 1 22 11 10 ar 23 12 32 1 24 13 18 1 25 13 41 1 26 13 42 1 27 14 18 1 28 14 43 1 29 14 44 1 30 15 26 1 31 15 45 1 32 15 46 1 33 16 13 1 34 16 47 1 35 16 48 1 36 17 14 1 37 17 49 1 38 18 15 1 39 18 25 1 40 19 17 1 41 19 50 1 42 19 51 1 43 19 52 1 44 20 24 1 45 20 53 1 46 20 54 1 47 20 55 1 48 21 56 1 49 21 57 1 50 21 58 1 51 22 59 1 52 22 60 1 53 22 61 1 54 23 8 1 55 23 27 1 56 23 62 1 57 23 63 1 58 24 21 1 59 24 31 1 60 24 64 1 61 25 33 1 62 26 33 1 63 26 22 1 64 27 16 1 65 27 17 1 66 30 65 1 67 33 28 2 68 33 29 2