@MOLECULE (1R,2S)-1-isohexyloxy-2-methyl-cyclopropane 31 31 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.3587 -0.2186 0.4245 C.3 1 UNL11111111 -0.0544 2 C 3.7358 -1.3297 -0.5620 C.3 1 UNL11111111 -0.4540 3 C 4.5688 0.6949 0.6653 C.3 1 UNL11111111 -0.4587 4 C 2.1774 0.6176 -0.1058 C.3 1 UNL11111111 -0.2841 5 C 0.8657 -0.1707 -0.0662 C.3 1 UNL11111111 -0.2941 6 C -0.2974 0.7158 -0.5188 C.3 1 UNL11111111 -0.0473 7 O -1.4283 -0.1567 -0.4734 O.3 1 UNL11111111 -0.3723 8 C -2.6303 0.5236 -0.6499 C.3 1 UNL11111111 0.0419 9 H -2.6989 1.0079 -1.6207 H 1 UNL11111111 0.1392 10 C -3.2866 1.1074 0.5846 C.3 1 UNL11111111 -0.3972 11 C -3.8149 -0.1841 -0.0157 C.3 1 UNL11111111 -0.1340 12 H -4.7707 -0.1460 -0.5508 H 1 UNL11111111 0.1504 13 C -3.6067 -1.4822 0.7134 C.3 1 UNL11111111 -0.4249 14 H 3.0638 -0.6838 1.3960 H 1 UNL11111111 0.1306 15 H 4.5947 -1.9057 -0.2009 H 1 UNL11111111 0.1412 16 H 2.9090 -2.0332 -0.7085 H 1 UNL11111111 0.1452 17 H 4.0006 -0.9223 -1.5433 H 1 UNL11111111 0.1438 18 H 4.8870 1.1903 -0.2577 H 1 UNL11111111 0.1440 19 H 4.3426 1.4743 1.4002 H 1 UNL11111111 0.1410 20 H 5.4245 0.1264 1.0441 H 1 UNL11111111 0.1427 21 H 2.0779 1.5392 0.4996 H 1 UNL11111111 0.1368 22 H 2.3900 0.9544 -1.1374 H 1 UNL11111111 0.1395 23 H 0.9233 -1.0671 -0.7140 H 1 UNL11111111 0.1543 24 H 0.6673 -0.5562 0.9522 H 1 UNL11111111 0.1500 25 H -0.4538 1.5731 0.1568 H 1 UNL11111111 0.1203 26 H -0.1709 1.0756 -1.5540 H 1 UNL11111111 0.1178 27 H -2.7564 1.0687 1.5315 H 1 UNL11111111 0.1689 28 H -3.8700 2.0172 0.5171 H 1 UNL11111111 0.1563 29 H -4.3714 -1.6333 1.4855 H 1 UNL11111111 0.1451 30 H -3.6483 -2.3339 0.0205 H 1 UNL11111111 0.1509 31 H -2.6233 -1.5242 1.2049 H 1 UNL11111111 0.1611 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 8 10 1 10 10 11 1 11 11 12 1 12 8 11 1 13 11 13 1 14 1 14 1 15 2 15 1 16 2 16 1 17 2 17 1 18 3 18 1 19 3 19 1 20 3 20 1 21 4 21 1 22 4 22 1 23 5 23 1 24 5 24 1 25 6 25 1 26 6 26 1 27 10 27 1 28 10 28 1 29 13 29 1 30 13 30 1 31 13 31 1