@MOLECULE 2-hydroxy-4-methoxy-3-(3-methyl-2-buten-1-yl)-6-pentylbenzoic acid 48 48 0 0 0 SMALL GASTEIGER @ATOM 1 C 7.2049 1.2353 -0.1486 C.3 1 UNL1111111111 -0.4409 2 C 5.7845 1.0451 -0.6808 C.3 1 UNL1111111111 -0.2509 3 C 4.7837 0.8794 0.4708 C.3 1 UNL1111111111 -0.2717 4 C 3.3632 0.6931 -0.0732 C.3 1 UNL1111111111 -0.2578 5 C 2.3566 0.5520 1.0797 C.3 1 UNL1111111111 -0.3140 6 C 0.9903 0.3062 0.5191 C.ar 1 UNL1111111111 0.2012 7 C 0.5999 -0.9807 0.1321 C.ar 1 UNL1111111111 -0.3248 8 C 1.5033 -2.1235 0.2869 C.2 1 UNL1111111111 0.6933 9 O 1.7896 -2.6835 -0.9199 O.3 1 UNL1111111111 -0.5392 10 O 2.0032 -2.5654 1.2907 O.2 1 UNL1111111111 -0.5220 11 C -0.6837 -1.1725 -0.4063 C.ar 1 UNL1111111111 0.3834 12 O -0.9956 -2.4515 -0.7007 O.3 1 UNL1111111111 -0.4431 13 C 0.1130 1.3783 0.3582 C.ar 1 UNL1111111111 -0.4060 14 C -1.1520 1.1591 -0.1955 C.ar 1 UNL1111111111 0.3348 15 O -2.0774 2.1251 -0.4108 O.3 1 UNL1111111111 -0.3086 16 C -1.7647 3.4429 0.0227 C.3 1 UNL1111111111 -0.2042 17 C -1.5802 -0.1174 -0.5965 C.ar 1 UNL1111111111 -0.2732 18 C -2.9439 -0.3360 -1.1662 C.3 1 UNL1111111111 -0.2344 19 C -3.8882 -0.7501 -0.0800 C.2 1 UNL1111111111 -0.2434 20 C -4.9649 -0.0495 0.3001 C.2 1 UNL1111111111 0.0733 21 C -5.3728 1.2422 -0.3274 C.3 1 UNL1111111111 -0.4627 22 C -5.8492 -0.5296 1.4051 C.3 1 UNL1111111111 -0.4574 23 H 7.2800 2.1249 0.4862 H 1 UNL1111111111 0.1405 24 H 7.5272 0.3753 0.4494 H 1 UNL1111111111 0.1444 25 H 7.9234 1.3535 -0.9671 H 1 UNL1111111111 0.1397 26 H 5.4991 1.9088 -1.3103 H 1 UNL1111111111 0.1316 27 H 5.7456 0.1607 -1.3453 H 1 UNL1111111111 0.1370 28 H 5.0689 0.0111 1.0955 H 1 UNL1111111111 0.1432 29 H 4.8263 1.7597 1.1379 H 1 UNL1111111111 0.1339 30 H 3.0823 1.5470 -0.7177 H 1 UNL1111111111 0.1394 31 H 3.3199 -0.2029 -0.7247 H 1 UNL1111111111 0.1506 32 H 2.6625 -0.2779 1.7566 H 1 UNL1111111111 0.1808 33 H 2.3742 1.4587 1.7155 H 1 UNL1111111111 0.1530 34 H 0.4249 2.3712 0.6594 H 1 UNL1111111111 0.1737 35 H 2.3640 -3.4846 -0.8481 H 1 UNL1111111111 0.3435 36 H -1.9186 -2.5449 -1.0606 H 1 UNL1111111111 0.3363 37 H -2.6710 3.9980 -0.2544 H 1 UNL1111111111 0.1505 38 H -1.6158 3.4708 1.1071 H 1 UNL1111111111 0.1398 39 H -0.8951 3.8358 -0.5133 H 1 UNL1111111111 0.1387 40 H -3.2951 0.5845 -1.6852 H 1 UNL1111111111 0.1650 41 H -2.9274 -1.1007 -1.9750 H 1 UNL1111111111 0.1407 42 H -3.6183 -1.6783 0.4195 H 1 UNL1111111111 0.1490 43 H -5.7027 1.0940 -1.3657 H 1 UNL1111111111 0.1565 44 H -6.1945 1.7345 0.2064 H 1 UNL1111111111 0.1489 45 H -4.5317 1.9543 -0.3506 H 1 UNL1111111111 0.1661 46 H -5.8742 0.1953 2.2317 H 1 UNL1111111111 0.1566 47 H -6.8824 -0.6654 1.0560 H 1 UNL1111111111 0.1548 48 H -5.5209 -1.4874 1.8298 H 1 UNL1111111111 0.1542 @BOND 1 1 2 1 2 1 23 1 3 1 24 1 4 1 25 1 5 2 3 1 6 2 26 1 7 2 27 1 8 3 4 1 9 3 28 1 10 3 29 1 11 4 5 1 12 4 30 1 13 4 31 1 14 5 6 1 15 5 32 1 16 5 33 1 17 6 7 ar 18 6 13 ar 19 7 8 1 20 7 11 ar 21 8 9 1 22 8 10 2 23 9 35 1 24 11 12 1 25 11 17 ar 26 12 36 1 27 13 14 ar 28 13 34 1 29 14 15 1 30 14 17 ar 31 15 16 1 32 16 37 1 33 16 38 1 34 16 39 1 35 17 18 1 36 18 19 1 37 18 40 1 38 18 41 1 39 19 20 2 40 19 42 1 41 20 21 1 42 20 22 1 43 21 43 1 44 21 44 1 45 21 45 1 46 22 46 1 47 22 47 1 48 22 48 1