@MOLECULE methyl (2r,3r)-3-[(5z)-5-benzylidene-4-hydroxy-2-oxo-2,5-dihydro-3-furanyl]-2,3-diphenylpropanoate 53 56 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.4136 0.3191 0.7348 O.3 1 UNL111111 -0.3525 2 O 1.5682 -2.7341 -0.6896 O.3 1 UNL111111 -0.4134 3 O -1.0369 -0.5228 -2.4695 O.2 1 UNL111111 -0.3908 4 O 1.1530 -2.9967 1.5023 O.2 1 UNL111111 -0.4874 5 O -0.6599 0.6304 2.0953 O.2 1 UNL111111 -0.3899 6 C 1.1514 -0.0053 -0.4509 C.3 1 UNL111111 -0.0680 7 C 1.8483 -0.8204 0.6697 C.3 1 UNL111111 -0.2024 8 C -0.3173 0.0267 -0.2691 C.2 1 UNL111111 -0.2758 9 C 1.7030 1.4014 -0.5011 C.ar 1 UNL111111 -0.0024 10 C 3.3416 -0.6727 0.5785 C.ar 1 UNL111111 -0.0070 11 C 1.4805 -2.2847 0.5903 C.2 1 UNL111111 0.5943 12 C -1.2824 -0.1971 -1.2008 C.2 1 UNL111111 0.2626 13 C -1.0072 0.3579 0.9899 C.2 1 UNL111111 0.5959 14 C 1.6790 2.2323 0.6196 C.ar 1 UNL111111 -0.1557 15 C 2.2627 1.8634 -1.6944 C.ar 1 UNL111111 -0.1594 16 C -2.6173 -0.0218 -0.5868 C.2 1 UNL111111 0.1009 17 C 4.0288 -0.0485 1.6218 C.ar 1 UNL111111 -0.1445 18 C 4.0397 -1.1150 -0.5472 C.ar 1 UNL111111 -0.1550 19 C 2.2185 3.5141 0.5486 C.ar 1 UNL111111 -0.1416 20 C 2.8020 3.1464 -1.7612 C.ar 1 UNL111111 -0.1468 21 C 5.4051 0.1446 1.5312 C.ar 1 UNL111111 -0.1439 22 C 5.4158 -0.9200 -0.6341 C.ar 1 UNL111111 -0.1465 23 C 2.7834 3.9719 -0.6402 C.ar 1 UNL111111 -0.1557 24 C -3.8493 -0.1546 -1.1008 C.2 1 UNL111111 -0.1834 25 C 6.0990 -0.2875 0.4026 C.ar 1 UNL111111 -0.1464 26 C -5.0936 0.0320 -0.3694 C.ar 1 UNL111111 -0.0454 27 C 1.2602 -4.1099 -0.8873 C.3 1 UNL111111 -0.1681 28 C -6.2273 -0.6879 -0.7947 C.ar 1 UNL111111 -0.1159 29 C -5.1728 0.9098 0.7252 C.ar 1 UNL111111 -0.0842 30 C -7.4495 -0.5440 -0.1251 C.ar 1 UNL111111 -0.2095 31 C -6.3831 1.0790 1.4102 C.ar 1 UNL111111 -0.2065 32 C -7.4073 0.3306 0.9169 C.ar 1 UNL111111 0.0349 33 H 1.3746 -0.5165 -1.4341 H 1 UNL111111 0.1826 34 H 1.4848 -0.4444 1.6702 H 1 UNL111111 0.2029 35 H 1.2439 1.8820 1.5565 H 1 UNL111111 0.1705 36 H 2.2855 1.2232 -2.5738 H 1 UNL111111 0.1504 37 H 3.4910 0.2959 2.5044 H 1 UNL111111 0.1591 38 H 3.5090 -1.6106 -1.3602 H 1 UNL111111 0.1634 39 H 2.1996 4.1584 1.4258 H 1 UNL111111 0.1494 40 H 3.2443 3.4995 -2.6909 H 1 UNL111111 0.1463 41 H 5.9381 0.6368 2.3421 H 1 UNL111111 0.1497 42 H 5.9563 -1.2616 -1.5142 H 1 UNL111111 0.1479 43 H 3.2089 4.9708 -0.6927 H 1 UNL111111 0.1476 44 H -3.9670 -0.4403 -2.1503 H 1 UNL111111 0.1585 45 H 7.1731 -0.1314 0.3306 H 1 UNL111111 0.1470 46 H -1.8758 -0.6325 -2.9962 H 1 UNL111111 0.3313 47 H 1.3735 -4.2356 -1.9693 H 1 UNL111111 0.1406 48 H 0.2347 -4.3182 -0.5650 H 1 UNL111111 0.1397 49 H 1.9684 -4.7367 -0.3347 H 1 UNL111111 0.1410 50 H -6.1585 -1.3694 -1.6407 H 1 UNL111111 0.1515 51 H -4.2932 1.4695 1.0474 H 1 UNL111111 0.1785 52 H -8.3428 -1.0840 -0.4163 H 1 UNL111111 0.1732 53 H -6.4815 1.7467 2.2586 H 1 UNL111111 0.1780 @BOND 1 46 3 1 2 40 20 1 3 44 24 1 4 3 12 1 5 50 28 1 6 36 15 1 7 20 15 ar 8 20 23 ar 9 24 26 1 10 24 16 2 11 28 30 ar 12 28 26 ar 13 52 30 1 14 15 9 ar 15 12 16 1 16 12 8 2 17 30 32 ar 18 26 29 ar 19 43 23 1 20 16 1 1 21 33 6 1 22 23 19 ar 23 47 27 1 24 9 6 1 25 9 14 ar 26 32 31 ar 27 29 51 1 28 29 31 ar 29 38 18 1 30 8 6 1 31 8 13 1 32 6 7 1 33 42 22 1 34 31 53 1 35 19 14 ar 36 19 39 1 37 2 27 1 38 2 11 1 39 1 13 1 40 27 48 1 41 27 49 1 42 14 35 1 43 18 22 ar 44 18 10 ar 45 22 25 ar 46 13 5 2 47 7 10 1 48 7 11 1 49 7 34 1 50 10 17 ar 51 11 4 2 52 25 45 1 53 25 21 ar 54 17 21 ar 55 17 37 1 56 21 41 1