@MOLECULE 2-[2-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl]-1,1-dimethylpyrrolidinium 41 42 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.4332 -1.5587 0.6449 O.2 1 UNL1111 -0.6816 2 O -4.6465 -1.0241 0.0025 O.3 1 UNL1111 -0.2857 3 O -5.0223 1.4957 -0.4633 O.3 1 UNL1111 -0.4515 4 N 3.9616 0.3789 0.3374 N.4 1 UNL1111 -0.0286 5 C 2.5850 -0.3292 0.1365 C.3 1 UNL1111 0.0647 6 C 4.9482 -0.5092 -0.4061 C.3 1 UNL1111 -0.1735 7 C 2.6750 -0.9078 -1.2786 C.3 1 UNL1111 -0.3033 8 C 4.1626 -1.1535 -1.5631 C.3 1 UNL1111 -0.2884 9 C 1.4000 0.5799 0.3486 C.3 1 UNL1111 -0.4365 10 C 3.9754 1.7556 -0.2527 C.3 1 UNL1111 -0.3314 11 C 4.2994 0.4620 1.7922 C.3 1 UNL1111 -0.3400 12 C 0.1578 -0.3713 0.4166 C.2 1 UNL1111 0.3357 13 C -1.1202 0.1709 0.2099 C.ar 1 UNL1111 -0.1623 14 C -2.2290 -0.7311 0.2372 C.ar 1 UNL1111 -0.2420 15 C -1.3712 1.5478 -0.0308 C.ar 1 UNL1111 -0.2003 16 C -3.5077 -0.2675 0.0134 C.ar 1 UNL1111 0.1516 17 C -2.6604 2.0082 -0.2568 C.ar 1 UNL1111 -0.2273 18 C -3.7300 1.1097 -0.2410 C.ar 1 UNL1111 0.1007 19 C -4.4736 -2.4052 0.2840 C.3 1 UNL1111 -0.2162 20 H 2.5508 -1.1719 0.8919 H 1 UNL1111 0.2002 21 H 5.8193 0.0720 -0.7589 H 1 UNL1111 0.1537 22 H 5.3367 -1.2893 0.2830 H 1 UNL1111 0.1646 23 H 2.0632 -1.8409 -1.3179 H 1 UNL1111 0.2114 24 H 2.2087 -0.2471 -2.0310 H 1 UNL1111 0.1657 25 H 4.4565 -0.7309 -2.5394 H 1 UNL1111 0.1531 26 H 4.3808 -2.2359 -1.6296 H 1 UNL1111 0.1651 27 H 1.4309 1.1322 1.2994 H 1 UNL1111 0.1499 28 H 1.2505 1.3031 -0.4662 H 1 UNL1111 0.1549 29 H 3.2456 2.4123 0.2599 H 1 UNL1111 0.1906 30 H 4.9689 2.2227 -0.1761 H 1 UNL1111 0.1579 31 H 3.6871 1.7179 -1.3207 H 1 UNL1111 0.1874 32 H 3.5358 1.0582 2.3315 H 1 UNL1111 0.1936 33 H 4.3012 -0.5426 2.2573 H 1 UNL1111 0.1851 34 H 5.2842 0.9239 1.9601 H 1 UNL1111 0.1641 35 H -2.0127 -1.7760 0.4371 H 1 UNL1111 0.1712 36 H -0.5507 2.2501 -0.0324 H 1 UNL1111 0.1152 37 H -2.8421 3.0596 -0.4442 H 1 UNL1111 0.1338 38 H -5.0686 2.4654 -0.6197 H 1 UNL1111 0.2983 39 H -3.8488 -2.8844 -0.4760 H 1 UNL1111 0.1291 40 H -4.0548 -2.5530 1.2845 H 1 UNL1111 0.1312 41 H -5.5016 -2.7831 0.2350 H 1 UNL1111 0.1396 @BOND 1 1 12 2 2 2 16 1 3 2 19 1 4 3 18 1 5 3 38 1 6 4 5 1 7 4 6 1 8 4 10 1 9 4 11 1 10 5 7 1 11 5 9 1 12 5 20 1 13 6 8 1 14 6 21 1 15 6 22 1 16 7 8 1 17 7 23 1 18 7 24 1 19 8 25 1 20 8 26 1 21 9 12 1 22 9 27 1 23 9 28 1 24 10 29 1 25 10 30 1 26 10 31 1 27 11 32 1 28 11 33 1 29 11 34 1 30 12 13 1 31 13 14 ar 32 13 15 ar 33 14 16 ar 34 14 35 1 35 15 17 ar 36 15 36 1 37 16 18 ar 38 17 18 ar 39 17 37 1 40 19 39 1 41 19 40 1 42 19 41 1