@MOLECULE 2,4,6-triisopropylbenzoic acid 42 42 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.9675 1.0150 1.0631 O.2 1 UNL1111111111 -0.5009 2 C 2.3070 0.7322 0.0976 C.2 1 UNL1111111111 0.6545 3 O 2.8365 0.8560 -1.1508 O.3 1 UNL1111111111 -0.5515 4 C 0.9201 0.2399 0.0303 C.ar 1 UNL1111111111 -0.2045 5 C -0.1352 1.1591 0.0100 C.ar 1 UNL1111111111 0.0765 6 C 0.1207 2.6463 0.0079 C.3 1 UNL1111111111 -0.0822 7 C -0.4723 3.2735 -1.2601 C.3 1 UNL1111111111 -0.4437 8 C -0.4773 3.2768 1.2717 C.3 1 UNL1111111111 -0.4436 9 C -1.4460 0.6838 -0.0060 C.ar 1 UNL1111111111 -0.2282 10 C -1.7050 -0.6869 -0.0064 C.ar 1 UNL1111111111 0.0579 11 C -3.1212 -1.2037 -0.0075 C.3 1 UNL1111111111 -0.0833 12 C -3.8492 -0.7319 1.2577 C.3 1 UNL1111111111 -0.4450 13 C -3.8541 -0.7340 -1.2700 C.3 1 UNL1111111111 -0.4452 14 C -0.6435 -1.5910 -0.0008 C.ar 1 UNL1111111111 -0.2396 15 C 0.6763 -1.1372 0.0137 C.ar 1 UNL1111111111 0.0813 16 C 1.8102 -2.1333 0.0172 C.3 1 UNL1111111111 -0.0810 17 C 1.7458 -2.9871 1.2896 C.3 1 UNL1111111111 -0.4441 18 C 1.7404 -3.0050 -1.2430 C.3 1 UNL1111111111 -0.4431 19 H 3.7672 1.1885 -1.1527 H 1 UNL1111111111 0.3463 20 H 1.2222 2.8548 0.0093 H 1 UNL1111111111 0.1472 21 H -1.5627 3.1808 -1.2912 H 1 UNL1111111111 0.1447 22 H -0.2295 4.3397 -1.3219 H 1 UNL1111111111 0.1462 23 H -0.0755 2.7888 -2.1611 H 1 UNL1111111111 0.1529 24 H -0.0712 2.8046 2.1757 H 1 UNL1111111111 0.1549 25 H -0.2457 4.3460 1.3254 H 1 UNL1111111111 0.1468 26 H -1.5663 3.1714 1.3068 H 1 UNL1111111111 0.1447 27 H -2.2750 1.3889 -0.0171 H 1 UNL1111111111 0.1626 28 H -3.1120 -2.3243 -0.0068 H 1 UNL1111111111 0.1396 29 H -4.8535 -1.1637 1.3197 H 1 UNL1111111111 0.1444 30 H -3.3022 -1.0267 2.1612 H 1 UNL1111111111 0.1500 31 H -3.9567 0.3580 1.2824 H 1 UNL1111111111 0.1473 32 H -3.3146 -1.0356 -2.1756 H 1 UNL1111111111 0.1494 33 H -4.8614 -1.1605 -1.3234 H 1 UNL1111111111 0.1446 34 H -3.9564 0.3562 -1.2986 H 1 UNL1111111111 0.1471 35 H -0.8423 -2.6609 -0.0067 H 1 UNL1111111111 0.1613 36 H 2.7978 -1.6028 0.0095 H 1 UNL1111111111 0.1461 37 H 2.5915 -3.6815 1.3403 H 1 UNL1111111111 0.1457 38 H 1.7813 -2.3571 2.1878 H 1 UNL1111111111 0.1543 39 H 0.8263 -3.5793 1.3400 H 1 UNL1111111111 0.1460 40 H 1.7549 -2.3863 -2.1493 H 1 UNL1111111111 0.1532 41 H 2.5929 -3.6904 -1.2954 H 1 UNL1111111111 0.1448 42 H 0.8285 -3.6102 -1.2730 H 1 UNL1111111111 0.1454 @BOND 1 2 1 2 2 2 3 1 3 3 19 1 4 4 2 1 5 5 4 ar 6 5 6 1 7 6 8 1 8 6 20 1 9 7 6 1 10 7 21 1 11 7 22 1 12 7 23 1 13 8 24 1 14 8 25 1 15 8 26 1 16 9 5 ar 17 9 27 1 18 10 14 ar 19 10 9 ar 20 11 10 1 21 11 28 1 22 12 11 1 23 12 29 1 24 12 30 1 25 12 31 1 26 13 11 1 27 13 32 1 28 13 33 1 29 13 34 1 30 14 15 ar 31 14 35 1 32 15 16 1 33 15 4 ar 34 16 36 1 35 17 16 1 36 17 37 1 37 17 38 1 38 17 39 1 39 18 16 1 40 18 40 1 41 18 41 1 42 18 42 1