@MOLECULE 5-benzyl-3-methoxy-4-phenyl-2(5h)-furanone 37 39 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.3720 2.0010 0.2727 O.3 1 UNL1111111111 -0.3893 2 O 3.1721 1.4134 -0.0752 O.2 1 UNL1111111111 -0.2505 3 O 1.0849 3.6929 0.1075 O.2 1 UNL1111111111 -0.4297 4 C -0.3246 0.5489 0.2823 C.3 1 UNL1111111111 0.1303 5 C 1.1443 0.1968 0.1492 C.2 1 UNL1111111111 -0.1598 6 C -1.1695 0.0646 -0.8947 C.3 1 UNL1111111111 -0.3199 7 C 1.8421 1.3542 0.0630 C.2 1 UNL1111111111 0.0582 8 C 1.6166 -1.1667 0.1283 C.ar 1 UNL1111111111 0.0129 9 C -2.6020 -0.0890 -0.4885 C.ar 1 UNL1111111111 0.0089 10 C 0.8960 2.5118 0.1398 C.2 1 UNL1111111111 0.5551 11 C 2.8432 -1.4786 -0.4715 C.ar 1 UNL1111111111 -0.1396 12 C 0.8541 -2.1920 0.7054 C.ar 1 UNL1111111111 -0.1525 13 C -3.2057 -1.3468 -0.4962 C.ar 1 UNL1111111111 -0.1733 14 C -3.3349 1.0339 -0.0962 C.ar 1 UNL1111111111 -0.1598 15 C 3.2987 -2.7943 -0.4915 C.ar 1 UNL1111111111 -0.1495 16 C 1.3143 -3.5045 0.6826 C.ar 1 UNL1111111111 -0.1456 17 C -4.5392 -1.4798 -0.1129 C.ar 1 UNL1111111111 -0.1440 18 C -4.6661 0.8971 0.2861 C.ar 1 UNL1111111111 -0.1413 19 C 2.5368 -3.8083 0.0848 C.ar 1 UNL1111111111 -0.1457 20 C -5.2702 -0.3600 0.2781 C.ar 1 UNL1111111111 -0.1602 21 C 3.7366 2.7278 -0.0500 C.3 1 UNL1111111111 -0.2093 22 H -0.7502 0.2683 1.2712 H 1 UNL1111111111 0.1664 23 H -0.7541 -0.8862 -1.2933 H 1 UNL1111111111 0.1712 24 H -1.0876 0.7866 -1.7392 H 1 UNL1111111111 0.1805 25 H 3.4438 -0.6920 -0.9290 H 1 UNL1111111111 0.1647 26 H -0.0987 -1.9646 1.1804 H 1 UNL1111111111 0.1556 27 H -2.6412 -2.2251 -0.8015 H 1 UNL1111111111 0.1510 28 H -2.8582 2.0158 -0.0861 H 1 UNL1111111111 0.1701 29 H 4.2535 -3.0291 -0.9582 H 1 UNL1111111111 0.1504 30 H 0.7193 -4.2959 1.1350 H 1 UNL1111111111 0.1500 31 H -5.0100 -2.4603 -0.1202 H 1 UNL1111111111 0.1459 32 H -5.2364 1.7722 0.5915 H 1 UNL1111111111 0.1501 33 H 2.8959 -4.8351 0.0695 H 1 UNL1111111111 0.1485 34 H -6.3106 -0.4652 0.5761 H 1 UNL1111111111 0.1477 35 H 3.3777 3.3222 -0.8971 H 1 UNL1111111111 0.1504 36 H 3.5159 3.2318 0.8966 H 1 UNL1111111111 0.1494 37 H 4.8092 2.5156 -0.1417 H 1 UNL1111111111 0.1528 @BOND 1 1 4 1 2 1 10 1 3 2 7 1 4 2 21 1 5 3 10 2 6 4 5 1 7 4 6 1 8 4 22 1 9 5 7 2 10 5 8 1 11 6 9 1 12 6 23 1 13 6 24 1 14 7 10 1 15 8 11 ar 16 8 12 ar 17 9 13 ar 18 9 14 ar 19 11 15 ar 20 11 25 1 21 12 16 ar 22 12 26 1 23 13 17 ar 24 13 27 1 25 14 18 ar 26 14 28 1 27 15 19 ar 28 15 29 1 29 16 19 ar 30 16 30 1 31 17 20 ar 32 17 31 1 33 18 20 ar 34 18 32 1 35 19 33 1 36 20 34 1 37 21 35 1 38 21 36 1 39 21 37 1