@MOLECULE 4-methyl-1-(1-methylcyclopropyl)-1-pentanone 29 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.9029 0.1491 -0.4107 C.3 1 UNL11111111 -0.0584 2 C -4.0665 -0.8480 -0.3236 C.3 1 UNL11111111 -0.4568 3 C -3.2120 1.3768 0.4548 C.3 1 UNL11111111 -0.4536 4 C -1.6046 -0.5417 0.0430 C.3 1 UNL11111111 -0.2674 5 C -0.3691 0.3230 -0.2229 C.3 1 UNL11111111 -0.3798 6 C 0.8852 -0.3804 0.2269 C.2 1 UNL11111111 0.4747 7 O 0.8515 -1.4680 0.7476 O.2 1 UNL11111111 -0.4551 8 C 2.1963 0.3110 -0.0197 C.3 1 UNL11111111 -0.1102 9 C 2.1753 1.8015 0.1689 C.3 1 UNL11111111 -0.4309 10 C 3.4543 -0.4618 0.3445 C.3 1 UNL11111111 -0.2931 11 C 3.0763 -0.2973 -1.1016 C.3 1 UNL11111111 -0.3065 12 H -2.7881 0.4743 -1.4723 H 1 UNL11111111 0.1262 13 H -5.0049 -0.3939 -0.6578 H 1 UNL11111111 0.1411 14 H -3.8868 -1.7293 -0.9483 H 1 UNL11111111 0.1437 15 H -4.2177 -1.1966 0.7043 H 1 UNL11111111 0.1474 16 H -3.2767 1.1110 1.5158 H 1 UNL11111111 0.1470 17 H -2.4422 2.1475 0.3523 H 1 UNL11111111 0.1379 18 H -4.1678 1.8304 0.1716 H 1 UNL11111111 0.1403 19 H -1.6608 -0.7970 1.1193 H 1 UNL11111111 0.1546 20 H -1.4935 -1.5160 -0.4737 H 1 UNL11111111 0.1507 21 H -0.2927 0.5719 -1.3002 H 1 UNL11111111 0.1653 22 H -0.4642 1.2937 0.3050 H 1 UNL11111111 0.1684 23 H 1.7653 2.0764 1.1508 H 1 UNL11111111 0.1546 24 H 3.1839 2.2347 0.1180 H 1 UNL11111111 0.1553 25 H 1.5761 2.3022 -0.6029 H 1 UNL11111111 0.1511 26 H 4.3102 0.0646 0.7531 H 1 UNL11111111 0.1554 27 H 3.3486 -1.4385 0.8206 H 1 UNL11111111 0.1775 28 H 2.7211 -1.1588 -1.6630 H 1 UNL11111111 0.1628 29 H 3.6530 0.3592 -1.7464 H 1 UNL11111111 0.1578 @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 1 8 8 9 1 9 8 10 1 10 10 11 1 11 8 11 1 12 1 12 1 13 2 13 1 14 2 14 1 15 2 15 1 16 3 16 1 17 3 17 1 18 3 18 1 19 4 19 1 20 4 20 1 21 5 21 1 22 5 22 1 23 9 23 1 24 9 24 1 25 9 25 1 26 10 26 1 27 10 27 1 28 11 28 1 29 11 29 1