@MOLECULE estragole 23 23 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.1010 0.2169 -0.2534 O.3 1 UNL1111111111 -0.3188 2 C 0.9800 0.3574 0.3527 C.ar 1 UNL1111111111 -0.0581 3 C 2.4569 0.4518 0.5934 C.3 1 UNL1111111111 -0.2917 4 C 0.2365 1.4984 0.0303 C.ar 1 UNL1111111111 -0.1076 5 C 0.3430 -0.8783 0.4594 C.ar 1 UNL1111111111 -0.1004 6 C -1.7568 0.1587 -0.0460 C.ar 1 UNL1111111111 0.2406 7 C -1.1333 1.4109 -0.1708 C.ar 1 UNL1111111111 -0.2425 8 C -1.0316 -0.9915 0.2614 C.ar 1 UNL1111111111 -0.2890 9 C 3.2150 -0.1112 -0.5693 C.2 1 UNL1111111111 -0.0916 10 C -3.8252 -1.0004 -0.1555 C.3 1 UNL1111111111 -0.2023 11 C 4.2945 -0.8796 -0.4308 C.2 1 UNL1111111111 -0.3506 12 H 2.7706 1.5071 0.7557 H 1 UNL1111111111 0.1589 13 H 2.7212 -0.0673 1.5411 H 1 UNL1111111111 0.1572 14 H 0.7338 2.4633 -0.0625 H 1 UNL1111111111 0.1533 15 H 0.9262 -1.7672 0.6996 H 1 UNL1111111111 0.1535 16 H -1.7280 2.2859 -0.4173 H 1 UNL1111111111 0.1707 17 H -1.5120 -1.9590 0.3493 H 1 UNL1111111111 0.1616 18 H 2.8172 0.1614 -1.5471 H 1 UNL1111111111 0.1467 19 H -3.7492 -1.4222 0.8514 H 1 UNL1111111111 0.1338 20 H -3.4948 -1.7146 -0.9160 H 1 UNL1111111111 0.1340 21 H -4.8544 -0.6732 -0.3579 H 1 UNL1111111111 0.1524 22 H 4.8493 -1.2785 -1.2650 H 1 UNL1111111111 0.1453 23 H 4.7098 -1.1721 0.5198 H 1 UNL1111111111 0.1443 @BOND 1 1 6 1 2 1 10 1 3 2 3 1 4 2 4 ar 5 2 5 ar 6 3 9 1 7 3 12 1 8 3 13 1 9 4 7 ar 10 4 14 1 11 5 8 ar 12 5 15 1 13 6 7 ar 14 6 8 ar 15 7 16 1 16 8 17 1 17 9 11 2 18 9 18 1 19 10 19 1 20 10 20 1 21 10 21 1 22 11 22 1 23 11 23 1