@MOLECULE (3r)-3-{[2-benzyl-6-(3-methoxypropoxy)-3-pyridinyl]ethynyl}quinuclidin-3-ol 60 63 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -4.0836 -1.1703 0.3659 C.3 1 UNL1 0.2892 2 C 0.6088 -2.2798 1.2164 C.ar 1 UNL1 -0.0002 3 C 1.9889 -2.3538 1.2441 C.ar 1 UNL1 -0.3299 4 C 1.0613 2.6918 -0.0261 C.ar 1 UNL1 -0.1623 5 C -1.2963 2.1913 0.1658 C.ar 1 UNL1 -0.1713 6 C 0.8870 3.8137 0.7794 C.ar 1 UNL1 -0.1426 7 C -1.4683 3.3162 0.9692 C.ar 1 UNL1 -0.1331 8 C -0.3778 4.1280 1.2756 C.ar 1 UNL1 -0.1594 9 C 0.1647 0.6608 -1.1889 C.3 1 UNL1 -0.3015 10 C 4.7726 -0.5447 -0.2863 C.3 1 UNL1 -0.0227 11 C 6.2204 -0.9150 0.0128 C.3 1 UNL1 -0.3267 12 C 7.1654 0.0565 -0.6976 C.3 1 UNL1 -0.0420 13 C 9.4988 0.4152 -0.8255 C.3 1 UNL1 -0.2028 14 H -4.0894 -2.3852 1.9460 H 1 UNL1 0.3189 15 C -0.0312 -1.3096 0.4210 C.ar 1 UNL1 -0.1690 16 C 0.7630 -0.4252 -0.3388 C.ar 1 UNL1 0.2906 17 C 2.6958 -1.4274 0.4473 C.ar 1 UNL1 0.4255 18 C -0.0324 1.8801 -0.3349 C.ar 1 UNL1 0.0187 19 O -4.6045 -2.2506 1.1264 O.3 1 UNL1 -0.5548 20 O 4.0341 -1.5110 0.4909 O.3 1 UNL1 -0.3158 21 O 8.4568 -0.3621 -0.2702 O.3 1 UNL1 -0.3766 22 C -4.6553 0.1670 0.9403 C.3 1 UNL1 -0.1643 23 C -4.2518 -0.1732 -1.9274 C.3 1 UNL1 -0.3203 24 C -6.1940 -1.4279 -0.9530 C.3 1 UNL1 -0.3150 25 C -4.8236 1.1135 -1.2795 C.3 1 UNL1 -0.1183 26 C -6.6907 -0.0973 -0.3335 C.3 1 UNL1 -0.1154 27 C -2.6432 -1.1988 0.3842 C.1 1 UNL1 -0.1793 28 C -1.4308 -1.2443 0.3978 C.1 1 UNL1 -0.0240 29 C -4.6603 -1.3797 -1.0641 C.3 1 UNL1 -0.1029 30 N 2.1110 -0.4922 -0.3308 N.ar 1 UNL1 -0.5226 31 N -5.5656 0.8237 -0.0256 N.3 1 UNL1 -0.3821 32 H -4.2709 -2.3277 -1.4885 H 1 UNL1 0.1504 33 H -5.2175 -0.0405 1.8753 H 1 UNL1 0.1578 34 H -3.8450 0.8750 1.2055 H 1 UNL1 0.1512 35 H -4.6347 -0.2955 -2.9537 H 1 UNL1 0.1420 36 H -3.1541 -0.1138 -2.0160 H 1 UNL1 0.1436 37 H -6.4975 -2.2848 -0.3225 H 1 UNL1 0.1609 38 H -6.6475 -1.5956 -1.9421 H 1 UNL1 0.1364 39 H -4.0160 1.8371 -1.0472 H 1 UNL1 0.1395 40 H -5.5133 1.6314 -1.9763 H 1 UNL1 0.1379 41 H -7.3879 0.4243 -1.0184 H 1 UNL1 0.1338 42 H -7.2506 -0.2858 0.6054 H 1 UNL1 0.1407 43 H 0.0040 -2.9693 1.8097 H 1 UNL1 0.1666 44 H 0.8330 0.8944 -2.0502 H 1 UNL1 0.1805 45 H -0.7897 0.3188 -1.6435 H 1 UNL1 0.1700 46 H 2.5250 -3.0809 1.8444 H 1 UNL1 0.1886 47 H 2.0496 2.4353 -0.4061 H 1 UNL1 0.1613 48 H -2.1455 1.5485 -0.0627 H 1 UNL1 0.1565 49 H 4.5031 0.4699 0.0568 H 1 UNL1 0.1441 50 H 4.5023 -0.6601 -1.3502 H 1 UNL1 0.1433 51 H 1.7392 4.4443 1.0230 H 1 UNL1 0.1459 52 H -2.4556 3.5588 1.3586 H 1 UNL1 0.1523 53 H -0.5113 5.0050 1.9043 H 1 UNL1 0.1465 54 H 6.4120 -0.9022 1.1062 H 1 UNL1 0.1721 55 H 6.4352 -1.9573 -0.2990 H 1 UNL1 0.1683 56 H 7.0940 -0.0230 -1.7962 H 1 UNL1 0.1169 57 H 6.9953 1.1033 -0.3907 H 1 UNL1 0.1177 58 H 10.4004 -0.0400 -0.3947 H 1 UNL1 0.1468 59 H 9.5180 0.3298 -1.9160 H 1 UNL1 0.1202 60 H 9.4188 1.4614 -0.5158 H 1 UNL1 0.1203 @BOND 1 35 23 1 2 44 9 1 3 36 23 1 4 40 25 1 5 38 24 1 6 23 25 1 7 23 29 1 8 59 13 1 9 56 12 1 10 45 9 1 11 32 29 1 12 50 10 1 13 25 39 1 14 25 31 1 15 9 16 1 16 9 18 1 17 29 24 1 18 29 1 1 19 41 26 1 20 24 26 1 21 24 37 1 22 13 60 1 23 13 58 1 24 13 21 1 25 12 57 1 26 12 21 1 27 12 11 1 28 47 4 1 29 16 30 ar 30 16 15 ar 31 18 4 ar 32 18 5 ar 33 26 31 1 34 26 42 1 35 30 17 ar 36 55 11 1 37 10 11 1 38 10 49 1 39 10 20 1 40 48 5 1 41 4 6 ar 42 31 22 1 43 11 54 1 44 5 7 ar 45 1 27 1 46 1 22 1 47 1 19 1 48 27 28 3 49 28 15 1 50 15 2 ar 51 17 20 1 52 17 3 ar 53 6 51 1 54 6 8 ar 55 22 34 1 56 22 33 1 57 7 8 ar 58 7 52 1 59 19 14 1 60 2 3 ar 61 2 43 1 62 3 46 1 63 8 53 1