@MOLECULE N-isohexyl-3,3-dimethyl-cyclobutanecarboxamide 40 40 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.6145 -0.8944 -0.1163 C.3 1 UNL111111111111 -0.2899 2 C 3.9533 0.6271 -0.0040 C.3 1 UNL111111111111 0.1148 3 C 5.2066 0.9191 0.8029 C.3 1 UNL111111111111 -0.4655 4 C 3.9728 1.3376 -1.3451 C.3 1 UNL111111111111 -0.4668 5 C 2.6271 0.8434 0.7992 C.3 1 UNL111111111111 -0.3014 6 C 2.3016 -0.6717 0.6800 C.3 1 UNL111111111111 -0.2225 7 C 1.0571 -0.9219 -0.1337 C.2 1 UNL111111111111 0.5837 8 O 1.0341 -0.9662 -1.3468 O.2 1 UNL111111111111 -0.5385 9 N -0.1000 -1.1068 0.6010 N.am 1 UNL111111111111 -0.6174 10 C -1.3946 -1.2729 -0.0692 C.3 1 UNL111111111111 -0.0636 11 C -2.4019 -0.2323 0.4533 C.3 1 UNL111111111111 -0.3036 12 C -3.7650 -0.4377 -0.2141 C.3 1 UNL111111111111 -0.2849 13 C -4.8204 0.5410 0.3370 C.3 1 UNL111111111111 -0.0574 14 C -4.5453 1.9732 -0.1357 C.3 1 UNL111111111111 -0.4531 15 C -6.2179 0.0997 -0.1184 C.3 1 UNL111111111111 -0.4573 16 H 3.4600 -1.2444 -1.1446 H 1 UNL111111111111 0.1700 17 H 4.3291 -1.5613 0.3661 H 1 UNL111111111111 0.1408 18 H 6.1055 0.5761 0.2768 H 1 UNL111111111111 0.1487 19 H 5.3219 1.9942 0.9831 H 1 UNL111111111111 0.1469 20 H 5.1890 0.4217 1.7790 H 1 UNL111111111111 0.1448 21 H 3.0743 1.1004 -1.9342 H 1 UNL111111111111 0.1657 22 H 4.0113 2.4253 -1.2262 H 1 UNL111111111111 0.1450 23 H 4.8385 1.0342 -1.9450 H 1 UNL111111111111 0.1484 24 H 2.7672 1.1954 1.8220 H 1 UNL111111111111 0.1423 25 H 1.9102 1.5055 0.3065 H 1 UNL111111111111 0.1518 26 H 2.2867 -1.2020 1.6449 H 1 UNL111111111111 0.1511 27 H -0.1135 -1.0255 1.6001 H 1 UNL111111111111 0.3050 28 H -1.2638 -1.1682 -1.1741 H 1 UNL111111111111 0.1725 29 H -1.7655 -2.3065 0.1123 H 1 UNL111111111111 0.1336 30 H -2.4997 -0.3069 1.5515 H 1 UNL111111111111 0.1360 31 H -2.0243 0.7879 0.2489 H 1 UNL111111111111 0.1509 32 H -3.6763 -0.3159 -1.3100 H 1 UNL111111111111 0.1451 33 H -4.1082 -1.4773 -0.0529 H 1 UNL111111111111 0.1375 34 H -4.7861 0.5182 1.4528 H 1 UNL111111111111 0.1268 35 H -4.5296 2.0399 -1.2292 H 1 UNL111111111111 0.1473 36 H -5.3149 2.6642 0.2248 H 1 UNL111111111111 0.1411 37 H -3.5797 2.3373 0.2308 H 1 UNL111111111111 0.1422 38 H -6.4575 -0.9065 0.2407 H 1 UNL111111111111 0.1411 39 H -6.9905 0.7763 0.2618 H 1 UNL111111111111 0.1424 40 H -6.2988 0.0907 -1.2107 H 1 UNL111111111111 0.1463 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 1 6 1 7 6 7 1 8 7 8 2 9 7 9 am 10 9 10 1 11 10 11 1 12 11 12 1 13 12 13 1 14 13 14 1 15 13 15 1 16 1 16 1 17 1 17 1 18 3 18 1 19 3 19 1 20 3 20 1 21 4 21 1 22 4 22 1 23 4 23 1 24 5 24 1 25 5 25 1 26 6 26 1 27 9 27 1 28 10 28 1 29 10 29 1 30 11 30 1 31 11 31 1 32 12 32 1 33 12 33 1 34 13 34 1 35 14 35 1 36 14 36 1 37 14 37 1 38 15 38 1 39 15 39 1 40 15 40 1