@MOLECULE 1-(1-methylcyclopropyl)-1-hexanone 29 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.1897 -0.3934 -0.1455 C.3 1 UNL11111111 -0.4419 2 C 3.9198 0.4463 -0.0107 C.3 1 UNL11111111 -0.2496 3 C 2.6660 -0.4322 -0.1159 C.3 1 UNL11111111 -0.2719 4 C 1.4012 0.4219 0.0238 C.3 1 UNL11111111 -0.2530 5 C 0.1461 -0.4541 -0.0145 C.3 1 UNL11111111 -0.3807 6 C -1.0954 0.3685 0.2152 C.2 1 UNL11111111 0.4757 7 O -1.0416 1.5359 0.5125 O.2 1 UNL11111111 -0.4526 8 C -2.4181 -0.3217 0.0364 C.3 1 UNL11111111 -0.1115 9 C -2.4758 -1.7191 0.5855 C.3 1 UNL11111111 -0.4308 10 C -3.6606 0.5517 0.0950 C.3 1 UNL11111111 -0.2928 11 C -3.1848 0.0240 -1.2306 C.3 1 UNL11111111 -0.3078 12 H 5.2542 -1.1537 0.6405 H 1 UNL11111111 0.1414 13 H 5.2280 -0.9111 -1.1102 H 1 UNL11111111 0.1412 14 H 6.0869 0.2313 -0.0723 H 1 UNL11111111 0.1415 15 H 3.9241 0.9851 0.9563 H 1 UNL11111111 0.1367 16 H 3.8997 1.2289 -0.7929 H 1 UNL11111111 0.1359 17 H 2.6608 -0.9693 -1.0821 H 1 UNL11111111 0.1344 18 H 2.6888 -1.2136 0.6662 H 1 UNL11111111 0.1348 19 H 1.4268 0.9996 0.9699 H 1 UNL11111111 0.1552 20 H 1.3565 1.1846 -0.7776 H 1 UNL11111111 0.1477 21 H 0.0739 -0.9840 -0.9852 H 1 UNL11111111 0.1652 22 H 0.2123 -1.2486 0.7572 H 1 UNL11111111 0.1677 23 H -2.1708 -1.7480 1.6410 H 1 UNL11111111 0.1551 24 H -3.4916 -2.1355 0.5394 H 1 UNL11111111 0.1555 25 H -1.8273 -2.4058 0.0254 H 1 UNL11111111 0.1511 26 H -4.5687 0.1657 0.5464 H 1 UNL11111111 0.1559 27 H -3.5449 1.6119 0.3267 H 1 UNL11111111 0.1771 28 H -2.7469 0.7073 -1.9547 H 1 UNL11111111 0.1623 29 H -3.7451 -0.7538 -1.7411 H 1 UNL11111111 0.1584 @BOND 1 1 2 1 2 2 3 1 3 3 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 1 13 1 14 1 14 1 15 2 15 1 16 2 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