@MOLECULE (e)-methyl isoeugenol 27 27 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.6822 1.9465 0.0449 O.3 1 UNL1111111111 -0.3057 2 O 2.7104 -0.6915 0.0854 O.3 1 UNL1111111111 -0.3227 3 C -1.3690 0.0666 -0.2257 C.ar 1 UNL1111111111 0.0126 4 C 0.9237 0.8218 -0.0357 C.ar 1 UNL1111111111 0.1708 5 C 1.3594 -0.5206 -0.0194 C.ar 1 UNL1111111111 0.1075 6 C -0.4380 1.1072 -0.1438 C.ar 1 UNL1111111111 -0.2237 7 C -0.9293 -1.2572 -0.2105 C.ar 1 UNL1111111111 -0.1739 8 C 0.4306 -1.5510 -0.1092 C.ar 1 UNL1111111111 -0.2221 9 C -2.7907 0.3910 -0.3336 C.2 1 UNL1111111111 -0.1915 10 C -3.7411 -0.2699 0.3387 C.2 1 UNL1111111111 -0.1039 11 C 3.0913 1.8015 0.1458 C.3 1 UNL1111111111 -0.1944 12 C -5.1877 0.0627 0.2367 C.3 1 UNL1111111111 -0.4516 13 C 3.1889 -2.0285 0.1024 C.3 1 UNL1111111111 -0.2016 14 H -0.7631 2.1467 -0.1553 H 1 UNL1111111111 0.1769 15 H -1.6494 -2.0690 -0.2865 H 1 UNL1111111111 0.1565 16 H 0.7473 -2.5901 -0.1023 H 1 UNL1111111111 0.1594 17 H -3.0270 1.2251 -0.9955 H 1 UNL1111111111 0.1571 18 H -3.5033 -1.0926 1.0129 H 1 UNL1111111111 0.1443 19 H 3.4976 1.2996 -0.7385 H 1 UNL1111111111 0.1405 20 H 3.3647 1.2722 1.0646 H 1 UNL1111111111 0.1408 21 H 3.4262 2.8464 0.1864 H 1 UNL1111111111 0.1456 22 H -5.7712 -0.8045 -0.1057 H 1 UNL1111111111 0.1541 23 H -5.5947 0.3609 1.2146 H 1 UNL1111111111 0.1560 24 H -5.3917 0.8852 -0.4618 H 1 UNL1111111111 0.1522 25 H 2.9467 -2.5437 -0.8323 H 1 UNL1111111111 0.1341 26 H 2.8050 -2.5718 0.9714 H 1 UNL1111111111 0.1339 27 H 4.2740 -1.8834 0.1899 H 1 UNL1111111111 0.1488 @BOND 1 1 4 1 2 1 11 1 3 2 5 1 4 2 13 1 5 3 6 ar 6 3 7 ar 7 3 9 1 8 4 5 ar 9 4 6 ar 10 5 8 ar 11 6 14 1 12 7 8 ar 13 7 15 1 14 8 16 1 15 9 10 2 16 9 17 1 17 10 12 1 18 10 18 1 19 11 19 1 20 11 20 1 21 11 21 1 22 12 22 1 23 12 23 1 24 12 24 1 25 13 25 1 26 13 26 1 27 13 27 1