@MOLECULE N-(3,3-dimethylbutyl)-3,3-dimethyl-pentanamide 42 41 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.8355 0.4696 0.0059 C.3 1 UNL11111111 -0.4315 2 C 4.4284 1.0659 0.0027 C.3 1 UNL11111111 -0.2816 3 C 3.2966 0.0024 -0.0023 C.3 1 UNL11111111 0.1462 4 C 3.3710 -0.8485 -1.2743 C.3 1 UNL11111111 -0.4716 5 C 3.3946 -0.8886 1.2399 C.3 1 UNL11111111 -0.4715 6 C 1.9591 0.7928 0.0227 C.3 1 UNL11111111 -0.4025 7 C 0.7242 -0.0774 0.0082 C.2 1 UNL11111111 0.6025 8 O 0.6953 -1.2913 0.0053 O.2 1 UNL11111111 -0.5446 9 N -0.4702 0.6233 0.0002 N.am 1 UNL11111111 -0.6354 10 C -1.7302 -0.1384 -0.0130 C.3 1 UNL11111111 -0.0497 11 C -2.9275 0.8195 0.0141 C.3 1 UNL11111111 -0.3334 12 C -4.2869 0.0816 0.0013 C.3 1 UNL11111111 0.1364 13 C -4.4324 -0.8072 1.2447 C.3 1 UNL11111111 -0.4674 14 C -5.4007 1.1462 0.0131 C.3 1 UNL11111111 -0.4698 15 C -4.4288 -0.7745 -1.2656 C.3 1 UNL11111111 -0.4675 16 H 6.5948 1.2593 -0.0102 H 1 UNL11111111 0.1349 17 H 6.0149 -0.1392 0.8991 H 1 UNL11111111 0.1445 18 H 6.0068 -0.1672 -0.8691 H 1 UNL11111111 0.1447 19 H 4.3105 1.7203 0.8871 H 1 UNL11111111 0.1315 20 H 4.3149 1.7218 -0.8812 H 1 UNL11111111 0.1317 21 H 4.3008 -1.4245 -1.3166 H 1 UNL11111111 0.1461 22 H 2.5469 -1.5772 -1.3088 H 1 UNL11111111 0.1747 23 H 3.3123 -0.2378 -2.1787 H 1 UNL11111111 0.1380 24 H 3.3706 -0.3052 2.1637 H 1 UNL11111111 0.1381 25 H 2.5609 -1.6064 1.2759 H 1 UNL11111111 0.1751 26 H 4.3165 -1.4787 1.2373 H 1 UNL11111111 0.1462 27 H 1.9394 1.4344 0.9271 H 1 UNL11111111 0.1633 28 H 1.9329 1.4774 -0.8492 H 1 UNL11111111 0.1624 29 H -0.5203 1.6218 -0.0001 H 1 UNL11111111 0.3061 30 H -1.7517 -0.7856 -0.9208 H 1 UNL11111111 0.1489 31 H -1.7448 -0.8281 0.8634 H 1 UNL11111111 0.1505 32 H -2.8736 1.4607 0.9148 H 1 UNL11111111 0.1440 33 H -2.8799 1.5030 -0.8551 H 1 UNL11111111 0.1434 34 H -4.2868 -0.2349 2.1664 H 1 UNL11111111 0.1450 35 H -5.4284 -1.2608 1.2918 H 1 UNL11111111 0.1468 36 H -3.7052 -1.6266 1.2453 H 1 UNL11111111 0.1499 37 H -5.3480 1.7912 -0.8695 H 1 UNL11111111 0.1435 38 H -6.3921 0.6809 0.0181 H 1 UNL11111111 0.1469 39 H -5.3362 1.7854 0.8992 H 1 UNL11111111 0.1435 40 H -3.7128 -1.6037 -1.2780 H 1 UNL11111111 0.1499 41 H -5.4299 -1.2136 -1.3363 H 1 UNL11111111 0.1468 42 H -4.2643 -0.1811 -2.1706 H 1 UNL11111111 0.1450 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 1 7 7 8 2 8 7 9 am 9 9 10 1 10 10 11 1 11 11 12 1 12 12 13 1 13 12 14 1 14 12 15 1 15 1 16 1 16 1 17 1 17 1 18 1 18 2 19 1 19 2 20 1 20 4 21 1 21 4 22 1 22 4 23 1 23 5 24 1 24 5 25 1 25 5 26 1 26 6 27 1 27 6 28 1 28 9 29 1 29 10 30 1 30 10 31 1 31 11 32 1 32 11 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 39 15 40 1 40 15 41 1 41 15 42 1