@MOLECULE 1-isohexyloxy-3-methyl-cyclobutane 34 34 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.8436 -1.0219 -0.2174 C.3 1 UNL11111111 -0.3576 2 C -3.8751 0.0706 -0.6331 C.3 1 UNL11111111 -0.0723 3 H -3.8472 0.2899 -1.7142 H 1 UNL11111111 0.1360 4 C -5.2947 -0.1898 -0.1710 C.3 1 UNL11111111 -0.4536 5 C -3.0992 1.1258 0.2113 C.3 1 UNL11111111 -0.3236 6 C -2.0911 0.0296 0.6467 C.3 1 UNL11111111 0.1159 7 H -2.0328 -0.1818 1.7202 H 1 UNL11111111 0.1147 8 O -0.8402 0.3874 0.1219 O.3 1 UNL11111111 -0.4097 9 C 0.2142 -0.4858 0.5152 C.3 1 UNL11111111 -0.0402 10 C 1.4275 0.0355 -0.2606 C.3 1 UNL11111111 -0.2921 11 C 2.7210 -0.5517 0.3089 C.3 1 UNL11111111 -0.2867 12 C 3.9593 -0.0141 -0.4354 C.3 1 UNL11111111 -0.0551 13 C 4.2235 1.4529 -0.0752 C.3 1 UNL11111111 -0.4537 14 C 5.1861 -0.8631 -0.0759 C.3 1 UNL11111111 -0.4583 15 H -3.2597 -1.8618 0.3369 H 1 UNL11111111 0.1421 16 H -2.2512 -1.4124 -1.0479 H 1 UNL11111111 0.1533 17 H -5.3415 -0.4209 0.8996 H 1 UNL11111111 0.1460 18 H -5.9354 0.6832 -0.3462 H 1 UNL11111111 0.1467 19 H -5.7374 -1.0375 -0.7080 H 1 UNL11111111 0.1458 20 H -2.6425 1.9267 -0.3795 H 1 UNL11111111 0.1593 21 H -3.6620 1.5792 1.0268 H 1 UNL11111111 0.1443 22 H 0.3542 -0.4093 1.6076 H 1 UNL11111111 0.1150 23 H -0.0389 -1.5245 0.2454 H 1 UNL11111111 0.1153 24 H 1.3235 -0.2066 -1.3347 H 1 UNL11111111 0.1471 25 H 1.4415 1.1432 -0.2088 H 1 UNL11111111 0.1581 26 H 2.8061 -0.3216 1.3872 H 1 UNL11111111 0.1395 27 H 2.6928 -1.6555 0.2358 H 1 UNL11111111 0.1360 28 H 3.7805 -0.0896 -1.5350 H 1 UNL11111111 0.1304 29 H 5.1041 1.8378 -0.6005 H 1 UNL11111111 0.1411 30 H 3.3748 2.0911 -0.3451 H 1 UNL11111111 0.1455 31 H 4.3989 1.5764 0.9986 H 1 UNL11111111 0.1438 32 H 5.0417 -1.9134 -0.3492 H 1 UNL11111111 0.1406 33 H 6.0806 -0.5080 -0.5992 H 1 UNL11111111 0.1425 34 H 5.3979 -0.8248 0.9978 H 1 UNL11111111 0.1439 @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