@MOLECULE (3ar,7r,7as)-7-hydroxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid 29 30 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.9732 -0.5774 0.6913 O.3 1 UNL1111111111 -0.1502 2 O 1.7106 0.9047 -1.0511 O.3 1 UNL1111111111 -0.2716 3 O -0.5854 -2.8616 -0.3182 O.3 1 UNL1111111111 -0.4389 4 O -3.2713 0.6762 1.2050 O.3 1 UNL1111111111 -0.3738 5 O -3.3537 1.3161 -0.9270 O.2 1 UNL1111111111 -0.3545 6 C 1.1522 -1.2286 -0.2653 C.3 1 UNL1111111111 -0.4813 7 C 0.7704 -0.1340 -1.2865 C.3 1 UNL1111111111 0.0324 8 C -0.0195 -1.8670 0.5038 C.3 1 UNL1111111111 0.1623 9 C 2.2782 0.7434 0.2485 C.3 1 UNL1111111111 0.6368 10 C -1.0777 -0.8566 0.9513 C.3 1 UNL1111111111 -0.9764 11 C -0.6035 0.4425 -1.1272 C.2 1 UNL1111111111 -0.4367 12 C -1.4256 0.1110 -0.1245 C.2 1 UNL1111111111 0.4888 13 C 1.6464 1.7339 1.2138 C.3 1 UNL1111111111 -0.9505 14 C 3.7856 0.8639 0.0965 C.3 1 UNL1111111111 -1.0948 15 C -2.7485 0.7593 -0.0472 C.2 1 UNL1111111111 0.1257 16 H 1.7815 -2.0218 -0.7280 H 1 UNL1111111111 0.2615 17 H 0.9583 -0.4469 -2.3393 H 1 UNL1111111111 0.1942 18 H 0.3706 -2.4562 1.3697 H 1 UNL1111111111 0.2582 19 H -0.7094 -0.3014 1.8461 H 1 UNL1111111111 0.3544 20 H -1.9779 -1.4052 1.3124 H 1 UNL1111111111 0.3326 21 H -0.8750 1.1866 -1.8835 H 1 UNL1111111111 0.2423 22 H 4.1691 0.1192 -0.6138 H 1 UNL1111111111 0.2763 23 H 4.2912 0.6963 1.0550 H 1 UNL1111111111 0.3358 24 H 4.0680 1.8543 -0.2798 H 1 UNL1111111111 0.3197 25 H 0.5538 1.6295 1.2284 H 1 UNL1111111111 0.2521 26 H 1.8733 2.7665 0.9234 H 1 UNL1111111111 0.2723 27 H 2.0086 1.5732 2.2359 H 1 UNL1111111111 0.2929 28 H -1.1578 -2.4699 -1.0088 H 1 UNL1111111111 0.3409 29 H -4.1576 1.1107 1.2862 H 1 UNL1111111111 0.3493 @BOND 1 1 6 1 2 1 9 1 3 2 7 1 4 2 9 1 5 3 8 1 6 3 28 1 7 4 15 1 8 4 29 1 9 5 15 2 10 6 7 1 11 6 8 1 12 6 16 1 13 7 11 1 14 7 17 1 15 8 10 1 16 8 18 1 17 9 13 1 18 9 14 1 19 10 12 1 20 10 19 1 21 10 20 1 22 11 12 2 23 11 21 1 24 12 15 1 25 13 25 1 26 13 26 1 27 13 27 1 28 14 22 1 29 14 23 1 30 14 24 1