@MOLECULE N-isopropyl-4-methyl-pentanamide 30 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.2409 0.1423 -0.3135 C.3 1 UNL11111111 -0.0579 2 C -4.3593 -0.7946 0.1614 C.3 1 UNL11111111 -0.4558 3 C -3.4957 1.5613 0.2092 C.3 1 UNL11111111 -0.4541 4 C -1.8821 -0.3910 0.1742 C.3 1 UNL11111111 -0.2659 5 C -0.7144 0.2955 -0.5422 C.3 1 UNL11111111 -0.3641 6 C 0.5865 -0.3684 -0.1444 C.2 1 UNL11111111 0.5918 7 O 0.6688 -1.5223 0.2239 O.2 1 UNL11111111 -0.5402 8 N 1.7155 0.4215 -0.2570 N.am 1 UNL11111111 -0.6361 9 C 3.0450 -0.1084 0.0857 C.3 1 UNL11111111 0.1418 10 C 4.0163 0.1863 -1.0680 C.3 1 UNL11111111 -0.4820 11 C 3.5403 0.5354 1.3905 C.3 1 UNL11111111 -0.4827 12 H -3.2443 0.1633 -1.4298 H 1 UNL11111111 0.1277 13 H -5.3425 -0.4323 -0.1560 H 1 UNL11111111 0.1408 14 H -4.2340 -1.8042 -0.2449 H 1 UNL11111111 0.1454 15 H -4.3760 -0.8778 1.2536 H 1 UNL11111111 0.1465 16 H -2.7319 2.2627 -0.1397 H 1 UNL11111111 0.1378 17 H -4.4668 1.9386 -0.1283 H 1 UNL11111111 0.1404 18 H -3.4963 1.5899 1.3044 H 1 UNL11111111 0.1459 19 H -1.7876 -0.2598 1.2686 H 1 UNL11111111 0.1473 20 H -1.8211 -1.4881 0.0091 H 1 UNL11111111 0.1647 21 H -0.8351 0.2100 -1.6424 H 1 UNL11111111 0.1683 22 H -0.7099 1.3776 -0.3141 H 1 UNL11111111 0.1552 23 H 1.6673 1.3857 -0.5287 H 1 UNL11111111 0.3046 24 H 2.9580 -1.2223 0.2305 H 1 UNL11111111 0.1681 25 H 4.1546 1.2602 -1.2255 H 1 UNL11111111 0.1456 26 H 5.0015 -0.2478 -0.8663 H 1 UNL11111111 0.1539 27 H 3.6525 -0.2450 -2.0085 H 1 UNL11111111 0.1565 28 H 4.5079 0.1184 1.6887 H 1 UNL11111111 0.1521 29 H 3.6573 1.6189 1.2971 H 1 UNL11111111 0.1453 30 H 2.8336 0.3477 2.2089 H 1 UNL11111111 0.1592 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 6 7 2 7 6 8 am 8 8 9 1 9 9 10 1 10 9 11 1 11 1 12 1 12 2 13 1 13 2 14 1 14 2 15 1 15 3 16 1 16 3 17 1 17 3 18 1 18 4 19 1 19 4 20 1 20 5 21 1 21 5 22 1 22 8 23 1 23 9 24 1 24 10 25 1 25 10 26 1 26 10 27 1 27 11 28 1 28 11 29 1 29 11 30 1