@MOLECULE (1S)-N-isohexyl-2,2-dimethyl-cyclobutanamine 38 38 0 0 0 SMALL USER_CHARGES @ATOM 1 C -4.2143 0.0656 -0.3658 C.3 1 UNL11111111 -0.0568 2 C -5.3994 -0.8674 -0.0813 C.3 1 UNL11111111 -0.4577 3 C -4.5432 1.4843 0.1134 C.3 1 UNL11111111 -0.4537 4 C -2.9524 -0.4769 0.3324 C.3 1 UNL11111111 -0.2874 5 C -1.6820 0.2068 -0.1818 C.3 1 UNL11111111 -0.2859 6 C -0.4418 -0.4175 0.4809 C.3 1 UNL11111111 -0.1068 7 N 0.7704 0.2956 0.0103 N.3 1 UNL11111111 -0.5528 8 C 1.9938 -0.3455 0.4718 C.3 1 UNL11111111 0.0280 9 H 1.9553 -0.4443 1.5747 H 1 UNL11111111 0.1407 10 C 3.3326 0.3440 -0.0156 C.3 1 UNL11111111 0.0829 11 C 3.1694 1.4730 -1.0166 C.3 1 UNL11111111 -0.4569 12 C 4.2053 0.7795 1.1507 C.3 1 UNL11111111 -0.4634 13 C 3.7698 -1.0103 -0.6602 C.3 1 UNL11111111 -0.3069 14 C 2.4399 -1.6719 -0.2365 C.3 1 UNL11111111 -0.3487 15 H -4.0355 0.0899 -1.4677 H 1 UNL11111111 0.1289 16 H -6.3099 -0.5129 -0.5759 H 1 UNL11111111 0.1422 17 H -5.2052 -1.8835 -0.4407 H 1 UNL11111111 0.1412 18 H -5.6111 -0.9293 0.9914 H 1 UNL11111111 0.1443 19 H -4.7085 1.5135 1.1956 H 1 UNL11111111 0.1441 20 H -3.7301 2.1821 -0.1140 H 1 UNL11111111 0.1447 21 H -5.4492 1.8659 -0.3691 H 1 UNL11111111 0.1405 22 H -3.0419 -0.3429 1.4260 H 1 UNL11111111 0.1403 23 H -2.8804 -1.5687 0.1671 H 1 UNL11111111 0.1363 24 H -1.6169 0.1196 -1.2813 H 1 UNL11111111 0.1352 25 H -1.7087 1.2929 0.0350 H 1 UNL11111111 0.1550 26 H -0.4973 -0.2936 1.5854 H 1 UNL11111111 0.1416 27 H -0.4022 -1.5084 0.2756 H 1 UNL11111111 0.1133 28 H 0.7618 0.4091 -1.0012 H 1 UNL11111111 0.2584 29 H 2.5673 2.2871 -0.5880 H 1 UNL11111111 0.1626 30 H 4.1397 1.8915 -1.3071 H 1 UNL11111111 0.1460 31 H 2.6682 1.1461 -1.9337 H 1 UNL11111111 0.1407 32 H 4.3417 -0.0229 1.8838 H 1 UNL11111111 0.1447 33 H 5.2011 1.0858 0.8110 H 1 UNL11111111 0.1474 34 H 3.7567 1.6325 1.6758 H 1 UNL11111111 0.1537 35 H 3.9314 -0.9642 -1.7388 H 1 UNL11111111 0.1408 36 H 4.6600 -1.4545 -0.2099 H 1 UNL11111111 0.1417 37 H 2.5462 -2.5246 0.4345 H 1 UNL11111111 0.1409 38 H 1.8020 -1.9744 -1.0681 H 1 UNL11111111 0.1406 @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 10 12 1 12 10 13 1 13 13 14 1 14 8 14 1 15 1 15 1 16 2 16 1 17 2 17 1 18 2 18 1 19 3 19 1 20 3 20 1 21 3 21 1 22 4 22 1 23 4 23 1 24 5 24 1 25 5 25 1 26 6 26 1 27 6 27 1 28 7 28 1 29 11 29 1 30 11 30 1 31 11 31 1 32 12 32 1 33 12 33 1 34 12 34 1 35 13 35 1 36 13 36 1 37 14 37 1 38 14 38 1