@MOLECULE n-(2-pentanyl)propanamide 27 26 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.7817 0.4629 -0.1344 C.3 1 UNL111111111111 -0.4180 2 C 2.4290 0.7692 -0.7706 C.3 1 UNL111111111111 -0.3392 3 C 1.3289 0.2154 0.1127 C.2 1 UNL111111111111 0.5913 4 O 1.2616 0.4410 1.3044 O.2 1 UNL111111111111 -0.5425 5 N 0.3781 -0.5652 -0.5162 N.am 1 UNL111111111111 -0.6298 6 C -0.7692 -1.1032 0.2315 C.3 1 UNL111111111111 0.1151 7 H -0.6055 -0.9062 1.3283 H 1 UNL111111111111 0.1711 8 C -0.8579 -2.6189 -0.0086 C.3 1 UNL111111111111 -0.4822 9 C -2.0744 -0.4137 -0.2255 C.3 1 UNL111111111111 -0.3138 10 C -2.1095 1.0526 0.2206 C.3 1 UNL111111111111 -0.2451 11 C -3.4014 1.7311 -0.2316 C.3 1 UNL111111111111 -0.4399 12 H 3.8092 0.8035 0.9130 H 1 UNL111111111111 0.1692 13 H 3.9934 -0.6126 -0.1266 H 1 UNL111111111111 0.1464 14 H 4.5976 0.9621 -0.6679 H 1 UNL111111111111 0.1441 15 H 2.2845 1.8683 -0.8530 H 1 UNL111111111111 0.1700 16 H 2.3877 0.3767 -1.8022 H 1 UNL111111111111 0.1478 17 H 0.4013 -0.7457 -1.5025 H 1 UNL111111111111 0.3048 18 H -1.0720 -2.8587 -1.0543 H 1 UNL111111111111 0.1456 19 H 0.0842 -3.1132 0.2601 H 1 UNL111111111111 0.1587 20 H -1.6479 -3.0653 0.6049 H 1 UNL111111111111 0.1541 21 H -2.1828 -0.4814 -1.3222 H 1 UNL111111111111 0.1386 22 H -2.9407 -0.9552 0.1979 H 1 UNL111111111111 0.1454 23 H -2.0094 1.1170 1.3220 H 1 UNL111111111111 0.1447 24 H -1.2329 1.5944 -0.1835 H 1 UNL111111111111 0.1403 25 H -3.4935 1.7335 -1.3227 H 1 UNL111111111111 0.1391 26 H -4.2843 1.2255 0.1743 H 1 UNL111111111111 0.1414 27 H -3.4370 2.7738 0.1041 H 1 UNL111111111111 0.1429 @BOND 1 1 2 1 2 2 3 1 3 3 4 2 4 3 5 am 5 5 6 1 6 6 7 1 7 6 8 1 8 6 9 1 9 9 10 1 10 10 11 1 11 1 12 1 12 1 13 1 13 1 14 1 14 2 15 1 15 2 16 1 16 5 17 1 17 8 18 1 18 8 19 1 19 8 20 1 20 9 21 1 21 9 22 1 22 10 23 1 23 10 24 1 24 11 25 1 25 11 26 1 26 11 27 1