@MOLECULE 2(3h)-furanone, dihydro-5-(3-hydroxy-1-butenyl)-4-((4-(methoxymethyl)phenyl)amino)- 42 43 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.3434 -1.3797 0.9217 O.3 1 UNL1111111111 -0.4009 2 O 4.5717 -2.9603 -0.0443 O.2 1 UNL1111111111 -0.4299 3 O 1.6624 3.9886 -0.9762 O.3 1 UNL1111111111 -0.5555 4 O -5.6614 -0.2375 -0.1713 O.3 1 UNL1111111111 -0.3636 5 N 0.2796 -1.8575 -0.2447 N.pl3 1 UNL1111111111 -0.5511 6 C 1.5063 -1.1683 -0.6249 C.3 1 UNL1111111111 0.0590 7 C 2.2459 -0.5209 0.6022 C.3 1 UNL1111111111 0.0542 8 C 2.5357 -2.1858 -1.1570 C.3 1 UNL1111111111 -0.4132 9 C 3.6016 -2.2642 -0.0996 C.2 1 UNL1111111111 0.5904 10 C 2.8002 0.8227 0.2663 C.2 1 UNL1111111111 -0.2081 11 C -0.9149 -1.1436 -0.0609 C.ar 1 UNL1111111111 0.2451 12 C 2.0355 1.9049 0.1229 C.2 1 UNL1111111111 -0.1985 13 C -1.1130 0.1534 -0.5588 C.ar 1 UNL1111111111 -0.2891 14 C -1.9765 -1.8134 0.5832 C.ar 1 UNL1111111111 -0.2808 15 C 2.6067 3.2486 -0.2310 C.3 1 UNL1111111111 0.1762 16 C -3.4071 0.0983 0.2075 C.ar 1 UNL1111111111 -0.1012 17 C -2.3571 0.7626 -0.4219 C.ar 1 UNL1111111111 -0.0825 18 C -3.2110 -1.1942 0.7045 C.ar 1 UNL1111111111 -0.0574 19 C 3.0117 4.0093 1.0318 C.3 1 UNL1111111111 -0.4992 20 C -4.7539 0.7393 0.3378 C.3 1 UNL1111111111 -0.0545 21 C -7.0055 0.1990 -0.1430 C.3 1 UNL1111111111 -0.2089 22 H 1.2754 -0.3953 -1.4007 H 1 UNL1111111111 0.1717 23 H 1.6254 -0.5146 1.5239 H 1 UNL1111111111 0.1649 24 H 2.0914 -3.1818 -1.3582 H 1 UNL1111111111 0.1998 25 H 2.9647 -1.8667 -2.1268 H 1 UNL1111111111 0.1915 26 H 0.4156 -2.6593 0.3636 H 1 UNL1111111111 0.3006 27 H 3.8865 0.8486 0.1567 H 1 UNL1111111111 0.1741 28 H 0.9529 1.8855 0.2439 H 1 UNL1111111111 0.1599 29 H -0.3197 0.6836 -1.0766 H 1 UNL1111111111 0.1608 30 H -1.8356 -2.8207 0.9655 H 1 UNL1111111111 0.1605 31 H 3.4513 3.1739 -0.9586 H 1 UNL1111111111 0.1505 32 H -2.5076 1.7653 -0.8208 H 1 UNL1111111111 0.1484 33 H -4.0437 -1.7183 1.1775 H 1 UNL1111111111 0.1612 34 H 3.8482 3.5179 1.5427 H 1 UNL1111111111 0.1627 35 H 3.3268 5.0322 0.7831 H 1 UNL1111111111 0.1616 36 H 2.1873 4.0820 1.7491 H 1 UNL1111111111 0.1529 37 H -4.8444 1.6700 -0.2509 H 1 UNL1111111111 0.1228 38 H -5.0072 0.9533 1.3937 H 1 UNL1111111111 0.1245 39 H 0.8986 4.2520 -0.4300 H 1 UNL1111111111 0.3135 40 H -7.1506 1.0846 -0.7687 H 1 UNL1111111111 0.1209 41 H -7.5492 -0.6559 -0.5664 H 1 UNL1111111111 0.1474 42 H -7.3351 0.3872 0.8830 H 1 UNL1111111111 0.1193 @BOND 1 1 7 1 2 1 9 1 3 2 9 2 4 3 15 1 5 3 39 1 6 4 20 1 7 4 21 1 8 5 6 1 9 5 11 1 10 5 26 1 11 6 7 1 12 6 8 1 13 6 22 1 14 7 10 1 15 7 23 1 16 8 9 1 17 8 24 1 18 8 25 1 19 10 12 2 20 10 27 1 21 11 13 ar 22 11 14 ar 23 12 15 1 24 12 28 1 25 13 17 ar 26 13 29 1 27 14 18 ar 28 14 30 1 29 15 19 1 30 15 31 1 31 16 17 ar 32 16 18 ar 33 16 20 1 34 17 32 1 35 18 33 1 36 19 34 1 37 19 35 1 38 19 36 1 39 20 37 1 40 20 38 1 41 21 40 1 42 21 41 1 43 21 42 1