@MOLECULE N-isohexyl-3-methyl-cyclobutanecarboxamide 37 37 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.1546 1.1241 0.7658 C.3 1 UNL1111111 -0.2979 2 C -4.5187 0.5928 0.2271 C.3 1 UNL1111111 -0.0783 3 H -5.3573 0.8021 0.9118 H 1 UNL1111111 0.1327 4 C -4.8521 1.0294 -1.1843 C.3 1 UNL1111111 -0.4531 5 C -3.9864 -0.8645 0.3512 C.3 1 UNL1111111 -0.2723 6 C -2.6392 -0.3335 0.9130 C.3 1 UNL1111111 -0.2173 7 H -2.4515 -0.6380 1.9578 H 1 UNL1111111 0.1615 8 C -1.4539 -0.6954 0.0548 C.2 1 UNL1111111 0.5808 9 O -1.4336 -1.6496 -0.6967 O.2 1 UNL1111111 -0.5396 10 N -0.3438 0.1143 0.1900 N.am 1 UNL1111111 -0.6195 11 C 0.8671 -0.1611 -0.5947 C.3 1 UNL1111111 -0.0593 12 C 2.1136 0.2713 0.1949 C.3 1 UNL1111111 -0.3007 13 C 3.3793 -0.0703 -0.5983 C.3 1 UNL1111111 -0.2838 14 C 4.6420 0.5107 0.0672 C.3 1 UNL1111111 -0.0574 15 C 4.9481 -0.2002 1.3904 C.3 1 UNL1111111 -0.4539 16 C 5.8349 0.3689 -0.8880 C.3 1 UNL1111111 -0.4573 17 H -2.6040 1.7382 0.0491 H 1 UNL1111111 0.1473 18 H -3.2250 1.6751 1.7053 H 1 UNL1111111 0.1401 19 H -4.0312 0.8163 -1.8817 H 1 UNL1111111 0.1546 20 H -5.7387 0.5060 -1.5629 H 1 UNL1111111 0.1488 21 H -5.0548 2.1053 -1.2339 H 1 UNL1111111 0.1444 22 H -4.5448 -1.5020 1.0384 H 1 UNL1111111 0.1412 23 H -3.8905 -1.4016 -0.6009 H 1 UNL1111111 0.1702 24 H -0.3408 0.9242 0.7802 H 1 UNL1111111 0.3073 25 H 0.9109 -1.2516 -0.8343 H 1 UNL1111111 0.1679 26 H 0.8090 0.3749 -1.5690 H 1 UNL1111111 0.1341 27 H 2.0781 1.3550 0.4099 H 1 UNL1111111 0.1374 28 H 2.1315 -0.2366 1.1786 H 1 UNL1111111 0.1499 29 H 3.4805 -1.1672 -0.7009 H 1 UNL1111111 0.1449 30 H 3.2949 0.3218 -1.6303 H 1 UNL1111111 0.1394 31 H 4.4757 1.5956 0.2718 H 1 UNL1111111 0.1270 32 H 5.8617 0.1929 1.8490 H 1 UNL1111111 0.1414 33 H 4.1369 -0.0699 2.1141 H 1 UNL1111111 0.1414 34 H 5.0897 -1.2765 1.2438 H 1 UNL1111111 0.1470 35 H 5.6619 0.9028 -1.8282 H 1 UNL1111111 0.1418 36 H 6.7491 0.7759 -0.4432 H 1 UNL1111111 0.1424 37 H 6.0291 -0.6808 -1.1331 H 1 UNL1111111 0.1464 @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 2 10 8 10 am 11 10 11 1 12 11 12 1 13 12 13 1 14 13 14 1 15 14 15 1 16 14 16 1 17 1 17 1 18 1 18 1 19 4 19 1 20 4 20 1 21 4 21 1 22 5 22 1 23 5 23 1 24 10 24 1 25 11 25 1 26 11 26 1 27 12 27 1 28 12 28 1 29 13 29 1 30 13 30 1 31 14 31 1 32 15 32 1 33 15 33 1 34 15 34 1 35 16 35 1 36 16 36 1 37 16 37 1