@MOLECULE 2-methyl-n-(2-pentanyl)butanamide 33 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.4963 0.0699 0.4243 C.3 1 UNL11111111 -0.4380 2 C 3.2154 -0.1466 -0.3771 C.3 1 UNL11111111 -0.2444 3 C 1.9700 0.2964 0.4089 C.3 1 UNL11111111 -0.1721 4 H 2.0340 -0.1092 1.4458 H 1 UNL11111111 0.1461 5 C 1.8305 1.8188 0.4600 C.3 1 UNL11111111 -0.4394 6 C 0.7410 -0.2491 -0.3117 C.2 1 UNL11111111 0.5738 7 O 0.6647 -0.3418 -1.5198 O.2 1 UNL11111111 -0.5432 8 N -0.3037 -0.6462 0.4991 N.am 1 UNL11111111 -0.6286 9 C -1.5569 -1.1573 -0.0772 C.3 1 UNL11111111 0.1164 10 H -1.4600 -1.1603 -1.1991 H 1 UNL11111111 0.1713 11 C -1.7860 -2.5944 0.4196 C.3 1 UNL11111111 -0.4809 12 C -2.7430 -0.2588 0.3368 C.3 1 UNL11111111 -0.3153 13 C -2.6710 1.1097 -0.3502 C.3 1 UNL11111111 -0.2458 14 C -3.8410 1.9955 0.0756 C.3 1 UNL11111111 -0.4399 15 H 4.4869 -0.4945 1.3630 H 1 UNL11111111 0.1400 16 H 5.3749 -0.2556 -0.1451 H 1 UNL11111111 0.1434 17 H 4.6433 1.1266 0.6737 H 1 UNL11111111 0.1423 18 H 3.2608 0.3969 -1.3425 H 1 UNL11111111 0.1573 19 H 3.1200 -1.2154 -0.6566 H 1 UNL11111111 0.1460 20 H 2.7067 2.2813 0.9290 H 1 UNL11111111 0.1526 21 H 1.7389 2.2437 -0.5496 H 1 UNL11111111 0.1624 22 H 0.9465 2.1277 1.0284 H 1 UNL11111111 0.1426 23 H -0.2716 -0.5441 1.4963 H 1 UNL11111111 0.3047 24 H -1.9296 -2.6370 1.5031 H 1 UNL11111111 0.1451 25 H -2.6688 -3.0361 -0.0540 H 1 UNL11111111 0.1516 26 H -0.9277 -3.2323 0.1733 H 1 UNL11111111 0.1598 27 H -3.6915 -0.7616 0.0698 H 1 UNL11111111 0.1463 28 H -2.7682 -0.1344 1.4339 H 1 UNL11111111 0.1385 29 H -1.7103 1.6046 -0.1102 H 1 UNL11111111 0.1403 30 H -2.6691 0.9832 -1.4505 H 1 UNL11111111 0.1431 31 H -4.8036 1.5417 -0.1848 H 1 UNL11111111 0.1418 32 H -3.8399 2.1710 1.1567 H 1 UNL11111111 0.1394 33 H -3.7956 2.9737 -0.4164 H 1 UNL11111111 0.1427 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 2 7 6 8 am 8 8 9 1 9 9 10 1 10 9 11 1 11 9 12 1 12 12 13 1 13 13 14 1 14 1 15 1 15 1 16 1 16 1 17 1 17 2 18 1 18 2 19 1 19 5 20 1 20 5 21 1 21 5 22 1 22 8 23 1 23 11 24 1 24 11 25 1 25 11 26 1 26 12 27 1 27 12 28 1 28 13 29 1 29 13 30 1 30 14 31 1 31 14 32 1 32 14 33 1