@MOLECULE 1-isohexyloxy-3-methyl-cyclobutane 34 34 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.7338 0.0394 -1.1738 C.3 1 UNL11111111 -0.3591 2 C -3.9005 -0.3668 -0.2230 C.3 1 UNL11111111 -0.0718 3 H -4.8859 -0.0487 -0.6025 H 1 UNL11111111 0.1298 4 C -3.9193 -1.8299 0.1708 C.3 1 UNL11111111 -0.4516 5 C -3.3399 0.5900 0.8722 C.3 1 UNL11111111 -0.3238 6 C -2.2075 1.0272 -0.0939 C.3 1 UNL11111111 0.1156 7 H -2.1849 2.0856 -0.3771 H 1 UNL11111111 0.1144 8 O -0.9936 0.6312 0.4881 O.3 1 UNL11111111 -0.4086 9 C 0.1452 0.9370 -0.3095 C.3 1 UNL11111111 -0.0420 10 C 1.3000 0.2396 0.4151 C.3 1 UNL11111111 -0.2921 11 C 2.6198 0.5190 -0.3078 C.3 1 UNL11111111 -0.2860 12 C 3.7888 -0.2555 0.3314 C.3 1 UNL11111111 -0.0550 13 C 3.7372 -1.7387 -0.0537 C.3 1 UNL11111111 -0.4536 14 C 5.1214 0.3546 -0.1234 C.3 1 UNL11111111 -0.4583 15 H -2.0384 -0.7732 -1.3986 H 1 UNL11111111 0.1574 16 H -3.0444 0.4982 -2.1109 H 1 UNL11111111 0.1383 17 H -2.9446 -2.1560 0.5579 H 1 UNL11111111 0.1545 18 H -4.6614 -2.0209 0.9549 H 1 UNL11111111 0.1454 19 H -4.1630 -2.4706 -0.6845 H 1 UNL11111111 0.1443 20 H -4.0145 1.3865 1.1830 H 1 UNL11111111 0.1406 21 H -2.9694 0.0831 1.7699 H 1 UNL11111111 0.1636 22 H 0.0061 0.5480 -1.3323 H 1 UNL11111111 0.1157 23 H 0.2737 2.0323 -0.3433 H 1 UNL11111111 0.1152 24 H 1.3441 0.5843 1.4666 H 1 UNL11111111 0.1522 25 H 1.0991 -0.8475 0.4719 H 1 UNL11111111 0.1520 26 H 2.5370 0.2531 -1.3779 H 1 UNL11111111 0.1387 27 H 2.8345 1.6043 -0.2824 H 1 UNL11111111 0.1370 28 H 3.7163 -0.1682 1.4423 H 1 UNL11111111 0.1313 29 H 4.5677 -2.2942 0.3944 H 1 UNL11111111 0.1407 30 H 2.8073 -2.2079 0.2852 H 1 UNL11111111 0.1451 31 H 3.7981 -1.8735 -1.1386 H 1 UNL11111111 0.1431 32 H 5.2087 1.4016 0.1850 H 1 UNL11111111 0.1412 33 H 5.9713 -0.1857 0.3068 H 1 UNL11111111 0.1425 34 H 5.2267 0.3188 -1.2126 H 1 UNL11111111 0.1435 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 6 7 1 7 1 6 1 8 6 8 1 9 8 9 1 10 9 10 1 11 10 11 1 12 11 12 1 13 12 13 1 14 12 14 1 15 1 15 1 16 1 16 1 17 4 17 1 18 4 18 1 19 4 19 1 20 5 20 1 21 5 21 1 22 9 22 1 23 9 23 1 24 10 24 1 25 10 25 1 26 11 26 1 27 11 27 1 28 12 28 1 29 13 29 1 30 13 30 1 31 13 31 1 32 14 32 1 33 14 33 1 34 14 34 1