@MOLECULE N-tert-butyl-3,3-dimethyl-pentanamide 36 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.7259 0.3821 0.0055 C.3 1 UNL11111111 -0.6728 2 C 3.3410 1.0290 0.0007 C.3 1 UNL11111111 -0.3976 3 C 2.1727 0.0049 -0.0024 C.3 1 UNL11111111 0.8151 4 C 2.2227 -0.8533 -1.2706 C.3 1 UNL11111111 -0.9431 5 C 2.2395 -0.8823 1.2448 C.3 1 UNL11111111 -0.9122 6 C 0.8629 0.8405 0.0160 C.3 1 UNL11111111 -1.0912 7 C -0.4056 0.0121 0.0069 C.2 1 UNL11111111 0.6466 8 O -0.4532 -1.2002 0.0017 O.2 1 UNL11111111 -0.3548 9 N -1.5665 0.7695 0.0068 N.am 1 UNL11111111 -0.8552 10 C -2.9152 0.1554 -0.0002 C.3 1 UNL11111111 0.8401 11 C -3.1027 -0.7090 1.2578 C.3 1 UNL11111111 -0.9960 12 C -3.9460 1.3049 0.0015 C.3 1 UNL11111111 -1.0331 13 C -3.0944 -0.6977 -1.2670 C.3 1 UNL11111111 -0.9943 14 H 5.5135 1.1433 -0.0147 H 1 UNL11111111 0.2104 15 H 4.8841 -0.2293 0.9009 H 1 UNL11111111 0.1992 16 H 4.8733 -0.2646 -0.8667 H 1 UNL11111111 0.1986 17 H 3.2461 1.6881 0.8841 H 1 UNL11111111 0.1578 18 H 3.2511 1.6858 -0.8854 H 1 UNL11111111 0.1582 19 H 3.1389 -1.4509 -1.3134 H 1 UNL11111111 0.2525 20 H 1.3819 -1.5628 -1.2997 H 1 UNL11111111 0.2525 21 H 2.1754 -0.2446 -2.1771 H 1 UNL11111111 0.2480 22 H 2.2136 -0.2945 2.1658 H 1 UNL11111111 0.2396 23 H 1.3935 -1.5856 1.2731 H 1 UNL11111111 0.2418 24 H 3.1515 -1.4876 1.2568 H 1 UNL11111111 0.2458 25 H 0.8645 1.4879 0.9161 H 1 UNL11111111 0.3168 26 H 0.8602 1.5192 -0.8605 H 1 UNL11111111 0.3168 27 H -1.5274 1.7735 0.0112 H 1 UNL11111111 0.4395 28 H -2.9494 -0.1299 2.1729 H 1 UNL11111111 0.2634 29 H -4.1039 -1.1464 1.2922 H 1 UNL11111111 0.2750 30 H -2.3787 -1.5387 1.2724 H 1 UNL11111111 0.2779 31 H -3.8409 1.9453 -0.8800 H 1 UNL11111111 0.2733 32 H -4.9656 0.9034 -0.0091 H 1 UNL11111111 0.2909 33 H -3.8537 1.9308 0.8948 H 1 UNL11111111 0.2739 34 H -2.3698 -1.5267 -1.2845 H 1 UNL11111111 0.2796 35 H -4.0946 -1.1366 -1.3122 H 1 UNL11111111 0.2731 36 H -2.9356 -0.1097 -2.1754 H 1 UNL11111111 0.2638 @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 10 12 1 12 10 13 1 13 1 14 1 14 1 15 1 15 1 16 1 16 2 17 1 17 2 18 1 18 4 19 1 19 4 20 1 20 4 21 1 21 5 22 1 22 5 23 1 23 5 24 1 24 6 25 1 25 6 26 1 26 9 27 1 27 11 28 1 28 11 29 1 29 11 30 1 30 12 31 1 31 12 32 1 32 12 33 1 33 13 34 1 34 13 35 1 35 13 36 1