@MOLECULE N-(1,1-dimethylbutyl)-2,2-dimethyl-pentanamide 42 41 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.5520 -0.6092 0.0017 C.3 1 UNL11111111 -0.4394 2 C 4.3984 0.3957 -0.0021 C.3 1 UNL11111111 -0.2457 3 C 3.0540 -0.3392 0.0013 C.3 1 UNL11111111 -0.2787 4 C 1.8262 0.5956 -0.0001 C.3 1 UNL11111111 0.0125 5 C 1.7976 1.4619 1.2623 C.3 1 UNL11111111 -0.4557 6 C 1.8000 1.4611 -1.2632 C.3 1 UNL11111111 -0.4557 7 C 0.5825 -0.3206 0.0004 C.2 1 UNL11111111 0.5722 8 O 0.6823 -1.5316 0.0042 O.2 1 UNL11111111 -0.5579 9 N -0.6490 0.3009 -0.0025 N.am 1 UNL11111111 -0.6478 10 C -1.9303 -0.4536 -0.0018 C.3 1 UNL11111111 0.3212 11 C -2.0045 -1.3259 -1.2646 C.3 1 UNL11111111 -0.4892 12 C -2.0048 -1.3250 1.2616 C.3 1 UNL11111111 -0.4894 13 C -3.0598 0.6162 0.0003 C.3 1 UNL11111111 -0.3291 14 C -4.4662 0.0066 -0.0023 C.3 1 UNL11111111 -0.2369 15 C -5.5278 1.1079 0.0039 C.3 1 UNL11111111 -0.4419 16 H 6.5216 -0.1009 0.0011 H 1 UNL11111111 0.1366 17 H 5.5170 -1.2548 0.8867 H 1 UNL11111111 0.1448 18 H 5.5186 -1.2603 -0.8793 H 1 UNL11111111 0.1448 19 H 4.4779 1.0589 0.8791 H 1 UNL11111111 0.1310 20 H 4.4773 1.0518 -0.8887 H 1 UNL11111111 0.1311 21 H 2.9948 -1.0176 -0.8749 H 1 UNL11111111 0.1572 22 H 2.9960 -1.0133 0.8807 H 1 UNL11111111 0.1573 23 H 2.6846 2.1045 1.3204 H 1 UNL11111111 0.1549 24 H 0.9243 2.1196 1.2999 H 1 UNL11111111 0.1407 25 H 1.7856 0.8418 2.1681 H 1 UNL11111111 0.1567 26 H 1.7946 0.8402 -2.1684 H 1 UNL11111111 0.1567 27 H 0.9242 2.1153 -1.3055 H 1 UNL11111111 0.1407 28 H 2.6851 2.1069 -1.3176 H 1 UNL11111111 0.1549 29 H -0.7103 1.3045 -0.0058 H 1 UNL11111111 0.3046 30 H -1.1596 -2.0326 -1.2993 H 1 UNL11111111 0.1840 31 H -2.9214 -1.9209 -1.2866 H 1 UNL11111111 0.1485 32 H -1.9631 -0.7228 -2.1758 H 1 UNL11111111 0.1476 33 H -1.9605 -0.7211 2.1722 H 1 UNL11111111 0.1477 34 H -2.9227 -1.9181 1.2860 H 1 UNL11111111 0.1485 35 H -1.1615 -2.0333 1.2958 H 1 UNL11111111 0.1841 36 H -2.9470 1.2669 0.8885 H 1 UNL11111111 0.1424 37 H -2.9462 1.2720 -0.8836 H 1 UNL11111111 0.1421 38 H -4.6028 -0.6405 -0.8899 H 1 UNL11111111 0.1388 39 H -4.6023 -0.6500 0.8783 H 1 UNL11111111 0.1388 40 H -6.5381 0.6834 0.0013 H 1 UNL11111111 0.1422 41 H -5.4418 1.7447 0.8913 H 1 UNL11111111 0.1423 42 H -5.4414 1.7543 -0.8762 H 1 UNL11111111 0.1423 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 4 6 1 6 4 7 1 7 7 8 2 8 7 9 am 9 9 10 1 10 10 11 1 11 10 12 1 12 10 13 1 13 13 14 1 14 14 15 1 15 1 16 1 16 1 17 1 17 1 18 1 18 2 19 1 19 2 20 1 20 3 21 1 21 3 22 1 22 5 23 1 23 5 24 1 24 5 25 1 25 6 26 1 26 6 27 1 27 6 28 1 28 9 29 1 29 11 30 1 30 11 31 1 31 11 32 1 32 12 33 1 33 12 34 1 34 12 35 1 35 13 36 1 36 13 37 1 37 14 38 1 38 14 39 1 39 15 40 1 40 15 41 1 41 15 42 1