@MOLECULE N-isohexyl-3,3-dimethyl-butanamide 39 38 0 0 0 SMALL USER_CHARGES @ATOM 1 C -4.1655 1.0812 -0.8815 C.3 1 UNL11111111 -0.4735 2 C -3.9593 -0.1735 -0.0247 C.3 1 UNL11111111 0.1645 3 C -4.0982 0.1700 1.4629 C.3 1 UNL11111111 -0.4735 4 C -5.0243 -1.2232 -0.4004 C.3 1 UNL11111111 -0.4737 5 C -2.5668 -0.7924 -0.3054 C.3 1 UNL11111111 -0.3978 6 C -1.4137 0.1317 0.0087 C.2 1 UNL11111111 0.5999 7 O -1.4947 1.2438 0.4893 O.2 1 UNL11111111 -0.5442 8 N -0.1623 -0.3818 -0.2896 N.am 1 UNL11111111 -0.6340 9 C 1.0217 0.4443 -0.0047 C.3 1 UNL11111111 -0.0530 10 C 2.3089 -0.3323 -0.3157 C.3 1 UNL11111111 -0.3042 11 C 3.5271 0.5182 0.0620 C.3 1 UNL11111111 -0.2825 12 C 4.8489 -0.1837 -0.3045 C.3 1 UNL11111111 -0.0572 13 C 6.0075 0.8171 -0.1998 C.3 1 UNL11111111 -0.4569 14 C 5.1124 -1.3812 0.6155 C.3 1 UNL11111111 -0.4541 15 H -3.4387 1.8634 -0.6151 H 1 UNL11111111 0.1744 16 H -4.0473 0.8701 -1.9474 H 1 UNL11111111 0.1386 17 H -5.1624 1.5070 -0.7317 H 1 UNL11111111 0.1449 18 H -5.0989 0.5472 1.6937 H 1 UNL11111111 0.1441 19 H -3.9111 -0.6977 2.1009 H 1 UNL11111111 0.1389 20 H -3.3828 0.9544 1.7538 H 1 UNL11111111 0.1762 21 H -4.9678 -1.4960 -1.4581 H 1 UNL11111111 0.1414 22 H -4.9155 -2.1368 0.1912 H 1 UNL11111111 0.1417 23 H -6.0329 -0.8358 -0.2183 H 1 UNL11111111 0.1488 24 H -2.4612 -1.7229 0.2894 H 1 UNL11111111 0.1646 25 H -2.5188 -1.0973 -1.3703 H 1 UNL11111111 0.1628 26 H -0.0227 -1.2852 -0.6943 H 1 UNL11111111 0.3064 27 H 0.9664 1.3829 -0.6042 H 1 UNL11111111 0.1464 28 H 0.9958 0.7596 1.0652 H 1 UNL11111111 0.1509 29 H 2.3257 -1.2866 0.2440 H 1 UNL11111111 0.1447 30 H 2.3487 -0.6009 -1.3878 H 1 UNL11111111 0.1418 31 H 3.4737 1.4961 -0.4548 H 1 UNL11111111 0.1417 32 H 3.5119 0.7488 1.1440 H 1 UNL11111111 0.1440 33 H 4.7854 -0.5454 -1.3592 H 1 UNL11111111 0.1282 34 H 6.1019 1.2181 0.8150 H 1 UNL11111111 0.1461 35 H 6.9624 0.3457 -0.4556 H 1 UNL11111111 0.1425 36 H 5.8680 1.6634 -0.8804 H 1 UNL11111111 0.1427 37 H 4.3410 -2.1500 0.5052 H 1 UNL11111111 0.1402 38 H 6.0763 -1.8498 0.3894 H 1 UNL11111111 0.1422 39 H 5.1327 -1.0814 1.6691 H 1 UNL11111111 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 2 7 6 8 am 8 8 9 1 9 9 10 1 10 10 11 1 11 11 12 1 12 12 13 1 13 12 14 1 14 1 15 1 15 1 16 1 16 1 17 1 17 3 18 1 18 3 19 1 19 3 20 1 20 4 21 1 21 4 22 1 22 4 23 1 23 5 24 1 24 5 25 1 25 8 26 1 26 9 27 1 27 9 28 1 28 10 29 1 29 10 30 1 30 11 31 1 31 11 32 1 32 12 33 1 33 13 34 1 34 13 35 1 35 13 36 1 36 14 37 1 37 14 38 1 38 14 39 1