@MOLECULE 4,4-dimethyl-N-propyl-pentanamide 33 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.3497 0.9915 -1.2553 C.3 1 UNL11111111 -0.4655 2 C -3.1742 0.1224 -0.0002 C.3 1 UNL11111111 0.1301 3 C -3.3510 0.9879 1.2569 C.3 1 UNL11111111 -0.4656 4 C -4.2526 -0.9780 -0.0022 C.3 1 UNL11111111 -0.4682 5 C -1.7938 -0.5697 0.0003 C.3 1 UNL11111111 -0.2763 6 C -0.6151 0.4075 -0.0000 C.3 1 UNL11111111 -0.3608 7 C 0.6852 -0.3650 0.0001 C.2 1 UNL11111111 0.5865 8 O 0.7664 -1.5761 -0.0003 O.2 1 UNL11111111 -0.5375 9 N 1.8323 0.4067 0.0010 N.am 1 UNL11111111 -0.6316 10 C 3.1421 -0.2640 0.0007 C.3 1 UNL11111111 -0.0532 11 C 4.2726 0.7763 0.0006 C.3 1 UNL11111111 -0.2827 12 C 5.6294 0.0759 -0.0014 C.3 1 UNL11111111 -0.4337 13 H -2.6622 1.8421 -1.2607 H 1 UNL11111111 0.1395 14 H -3.1709 0.4120 -2.1672 H 1 UNL11111111 0.1467 15 H -4.3654 1.3960 -1.3165 H 1 UNL11111111 0.1428 16 H -4.3694 1.3849 1.3229 H 1 UNL11111111 0.1428 17 H -3.1644 0.4082 2.1672 H 1 UNL11111111 0.1467 18 H -2.6696 1.8435 1.2607 H 1 UNL11111111 0.1395 19 H -4.1698 -1.6166 -0.8876 H 1 UNL11111111 0.1465 20 H -4.1671 -1.6220 0.8794 H 1 UNL11111111 0.1466 21 H -5.2593 -0.5492 0.0005 H 1 UNL11111111 0.1422 22 H -1.7129 -1.2427 0.8785 H 1 UNL11111111 0.1563 23 H -1.7129 -1.2429 -0.8772 H 1 UNL11111111 0.1562 24 H -0.6652 1.0680 -0.8883 H 1 UNL11111111 0.1633 25 H -0.6652 1.0691 0.8872 H 1 UNL11111111 0.1632 26 H 1.8145 1.4069 0.0015 H 1 UNL11111111 0.3063 27 H 3.2129 -0.9309 0.8915 H 1 UNL11111111 0.1488 28 H 3.2124 -0.9307 -0.8907 H 1 UNL11111111 0.1488 29 H 4.1860 1.4351 -0.8847 H 1 UNL11111111 0.1406 30 H 4.1884 1.4343 0.8868 H 1 UNL11111111 0.1406 31 H 6.4505 0.8021 -0.0072 H 1 UNL11111111 0.1447 32 H 5.7592 -0.5564 0.8852 H 1 UNL11111111 0.1483 33 H 5.7526 -0.5632 -0.8840 H 1 UNL11111111 0.1483 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 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 1 13 1 13 1 14 1 14 1 15 1 15 3 16 1 16 3 17 1 17 3 18 1 18 4 19 1 19 4 20 1 20 4 21 1 21 5 22 1 22 5 23 1 23 6 24 1 24 6 25 1 25 9 26 1 26 10 27 1 27 10 28 1 28 11 29 1 29 11 30 1 30 12 31 1 31 12 32 1 32 12 33 1