@MOLECULE n-{3-[(s)-cyclopropyl(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-2h-cycloocta[b]pyran-3-yl)methyl]phenyl}benzenesulfonamide 63 67 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 2.0524 -1.2836 -0.5268 C.ar 1 UNL1 -0.3755 2 C 3.4271 -1.5123 -0.2130 C.ar 1 UNL1 0.6193 3 O 4.0533 -2.4864 0.0900 O.2 1 UNL1 -0.4089 4 O 4.2787 -0.3589 -0.2498 O.2 1 UNL1 -0.4039 5 C 3.8230 0.8694 -0.4856 C.ar 1 UNL1 0.3783 6 C 2.5157 1.1147 -0.7982 C.ar 1 UNL1 -0.3456 7 C 1.6359 -0.0121 -0.8409 C.ar 1 UNL1 0.4023 8 O 0.3415 0.1218 -1.1808 O.3 1 UNL1 -0.4422 9 C -0.1017 -1.9957 0.3921 C.ar 1 UNL1 0.0778 10 C 0.1212 -1.5769 1.7070 C.ar 1 UNL1 -0.2217 11 C -0.9434 -1.1251 2.4807 C.ar 1 UNL1 -0.0913 12 C -2.2321 -1.0753 1.9572 C.ar 1 UNL1 -0.2555 13 C -2.4505 -1.5039 0.6415 C.ar 1 UNL1 0.2319 14 C -1.3885 -1.9875 -0.1372 C.ar 1 UNL1 -0.2731 15 C 1.0572 -2.4078 -0.4914 C.3 1 UNL1 -0.0622 16 C 1.6192 -3.7184 0.0233 C.3 1 UNL1 -0.1392 17 C 0.8815 -5.0033 -0.2998 C.3 1 UNL1 -0.3294 18 C 2.2072 -4.7115 -0.9569 C.3 1 UNL1 -0.3012 19 C 4.9340 1.8592 -0.3606 C.3 1 UNL1 -0.3095 20 C 4.9465 2.4946 1.0390 C.3 1 UNL1 -0.2504 21 C 3.8338 3.5306 1.2519 C.3 1 UNL1 -0.2704 22 C 2.4610 2.8927 1.5161 C.3 1 UNL1 -0.2560 23 C 1.4741 3.0658 0.3531 C.3 1 UNL1 -0.2759 24 C 2.0009 2.4994 -0.9788 C.3 1 UNL1 -0.2273 25 N -3.7442 -1.4425 0.0768 N.pl3 1 UNL1 -0.8610 26 S -4.6418 0.0477 0.0693 S.O2 1 UNL1 2.3660 27 O -5.5711 -0.1302 -1.0206 O.2 1 UNL1 -0.8947 28 O -5.0730 0.3514 1.4083 O.2 1 UNL1 -0.8775 29 C -3.4377 1.2533 -0.3891 C.ar 1 UNL1 -0.3944 30 C -2.9829 1.3173 -1.7045 C.ar 1 UNL1 -0.0547 31 C -2.0359 2.2749 -2.0663 C.ar 1 UNL1 -0.1986 32 C -1.5603 3.1766 -1.1155 C.ar 1 UNL1 -0.1180 33 C -2.0159 3.1108 0.2000 C.ar 1 UNL1 -0.1838 34 C -2.9530 2.1450 0.5654 C.ar 1 UNL1 -0.0524 35 H 0.0544 1.0730 -1.2709 H 1 UNL1 0.3372 36 H 1.1277 -1.5984 2.1172 H 1 UNL1 0.1595 37 H -0.7683 -0.8052 3.5069 H 1 UNL1 0.1449 38 H -3.0630 -0.7295 2.5728 H 1 UNL1 0.1819 39 H -1.5638 -2.3246 -1.1541 H 1 UNL1 0.1580 40 H 0.6886 -2.5589 -1.5453 H 1 UNL1 0.1591 41 H 2.0888 -3.6261 1.0101 H 1 UNL1 0.1698 42 H 0.8100 -5.7791 0.4562 H 1 UNL1 0.1559 43 H -0.0316 -4.9693 -0.8842 H 1 UNL1 0.1510 44 H 2.2481 -4.4691 -2.0137 H 1 UNL1 0.1522 45 H 3.0932 -5.2722 -0.6706 H 1 UNL1 0.1600 46 H 5.9115 1.3525 -0.5416 H 1 UNL1 0.1765 47 H 4.8545 2.6403 -1.1435 H 1 UNL1 0.1631 48 H 5.9307 2.9810 1.1973 H 1 UNL1 0.1401 49 H 4.8850 1.7020 1.8120 H 1 UNL1 0.1545 50 H 3.7829 4.2171 0.3873 H 1 UNL1 0.1393 51 H 4.1068 4.1743 2.1113 H 1 UNL1 0.1328 52 H 2.0160 3.3335 2.4293 H 1 UNL1 0.1316 53 H 2.5749 1.8142 1.7447 H 1 UNL1 0.1521 54 H 1.2284 4.1361 0.2261 H 1 UNL1 0.1325 55 H 0.5250 2.5589 0.6203 H 1 UNL1 0.1364 56 H 2.7960 3.1662 -1.3763 H 1 UNL1 0.1526 57 H 1.2038 2.5379 -1.7499 H 1 UNL1 0.1262 58 H -3.9503 -2.1200 -0.6524 H 1 UNL1 0.3256 59 H -3.3661 0.6338 -2.4698 H 1 UNL1 0.1684 60 H -1.6868 2.3302 -3.0957 H 1 UNL1 0.1559 61 H -0.8419 3.9434 -1.4038 H 1 UNL1 0.1468 62 H -1.6485 3.8175 0.9418 H 1 UNL1 0.1554 63 H -3.3039 2.1046 1.6048 H 1 UNL1 0.1793 @BOND 1 60 31 1 2 59 30 1 3 31 30 ar 4 31 32 ar 5 44 18 1 6 57 24 1 7 30 29 ar 8 40 15 1 9 61 32 1 10 56 24 1 11 35 8 1 12 8 7 1 13 39 14 1 14 47 19 1 15 32 33 ar 16 27 26 2 17 24 6 1 18 24 23 1 19 18 45 1 20 18 17 1 21 18 16 1 22 43 17 1 23 7 6 ar 24 7 1 ar 25 6 5 ar 26 58 25 1 27 46 19 1 28 1 15 1 29 1 2 ar 30 15 16 1 31 15 9 1 32 5 19 1 33 5 4 ar 34 29 26 1 35 29 34 ar 36 19 20 1 37 17 16 1 38 17 42 1 39 4 2 ar 40 2 3 2 41 14 9 ar 42 14 13 ar 43 16 41 1 44 26 25 1 45 26 28 2 46 25 13 1 47 33 34 ar 48 33 62 1 49 54 23 1 50 23 55 1 51 23 22 1 52 50 21 1 53 9 10 ar 54 34 63 1 55 13 12 ar 56 20 48 1 57 20 21 1 58 20 49 1 59 21 22 1 60 21 51 1 61 22 53 1 62 22 52 1 63 10 36 1 64 10 11 ar 65 12 11 ar 66 12 38 1 67 11 37 1