@MOLECULE 2-[(2-hydroxyethyl)sulfanyl]-n-(2,2,6,6-tetramethyl-5-oxa-1-azabicyclo[2.1.1]hex-4-yl)acetamide 40 41 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -3.8872 0.9492 -0.2054 S.3 1 UNL1 0.0504 2 O 1.8785 0.1846 1.5176 O.3 1 UNL1 -0.2679 3 O -0.7884 1.8085 -1.0699 O.2 1 UNL1 -0.4766 4 O -1.9696 -2.1470 -0.0916 O.3 1 UNL1 -0.5690 5 N 2.8098 -0.5890 0.6970 N.4 1 UNL1 -0.2271 6 N -0.3743 0.4415 0.6904 N.am 1 UNL1 -0.6336 7 C 0.9764 0.2032 0.3364 C.3 1 UNL1 0.2893 8 C 1.5693 -1.2723 0.0614 C.3 1 UNL1 0.1472 9 C 3.2214 0.5428 -0.2572 C.3 1 UNL1 0.2043 10 C 1.7908 1.1185 -0.6124 C.3 1 UNL1 -0.3551 11 C 1.0849 -2.3429 1.0179 C.3 1 UNL1 -0.4683 12 C 1.5822 -1.7929 -1.3515 C.3 1 UNL1 -0.4793 13 C 4.0409 1.5481 0.5546 C.3 1 UNL1 -0.4631 14 C 4.0393 0.0237 -1.4329 C.3 1 UNL1 -0.4736 15 C -1.1641 1.3584 -0.0133 C.2 1 UNL1 0.5927 16 C -2.4654 1.7106 0.6476 C.3 1 UNL1 -0.4431 17 C -3.9198 -0.7889 0.3579 C.3 1 UNL1 -0.3901 18 C -3.2208 -1.7516 -0.6035 C.3 1 UNL1 0.0169 19 H 1.5044 1.0207 -1.6648 H 1 UNL1 0.1722 20 H 1.6889 2.1823 -0.3629 H 1 UNL1 0.1717 21 H 1.8334 -3.1458 1.0979 H 1 UNL1 0.1691 22 H 0.9418 -1.9608 2.0380 H 1 UNL1 0.1652 23 H 0.1426 -2.8013 0.6899 H 1 UNL1 0.1646 24 H 0.6124 -2.2502 -1.6036 H 1 UNL1 0.1661 25 H 1.7562 -1.0209 -2.1092 H 1 UNL1 0.1602 26 H 2.3528 -2.5657 -1.4805 H 1 UNL1 0.1667 27 H -0.6522 0.0991 1.6062 H 1 UNL1 0.3259 28 H 3.4658 1.9485 1.4011 H 1 UNL1 0.1651 29 H 4.9289 1.0660 0.9857 H 1 UNL1 0.1623 30 H 4.3655 2.3914 -0.0612 H 1 UNL1 0.1468 31 H 3.4489 -0.0892 -2.3477 H 1 UNL1 0.1509 32 H 4.8688 0.6988 -1.6787 H 1 UNL1 0.1562 33 H 4.4860 -0.9533 -1.1986 H 1 UNL1 0.1662 34 H -2.4834 1.4922 1.7295 H 1 UNL1 0.1761 35 H -2.6175 2.8140 0.5617 H 1 UNL1 0.2090 36 H -3.4992 -0.9046 1.3747 H 1 UNL1 0.1755 37 H -4.9925 -1.0520 0.4523 H 1 UNL1 0.1717 38 H -3.0886 -1.3480 -1.6244 H 1 UNL1 0.1342 39 H -3.7626 -2.7176 -0.6724 H 1 UNL1 0.1417 40 H -1.3293 -1.4050 -0.1010 H 1 UNL1 0.3285 @BOND 1 31 14 1 2 25 12 1 3 32 14 1 4 19 10 1 5 38 18 1 6 24 12 1 7 26 12 1 8 14 33 1 9 14 9 1 10 12 8 1 11 3 15 2 12 39 18 1 13 10 20 1 14 10 9 1 15 10 7 1 16 18 4 1 17 18 17 1 18 9 13 1 19 9 5 1 20 1 17 1 21 1 16 1 22 40 4 1 23 30 13 1 24 15 16 1 25 15 6 am 26 8 7 1 27 8 5 1 28 8 11 1 29 7 6 1 30 7 2 1 31 17 37 1 32 17 36 1 33 13 29 1 34 13 28 1 35 35 16 1 36 16 34 1 37 23 11 1 38 6 27 1 39 5 2 1 40 11 21 1 41 11 22 1