@MOLECULE 1-cyclopropyl-1-pentanone 23 23 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.2557 -0.2832 0.0538 C.3 1 UNL111111111 -0.4396 2 C 3.0274 0.6239 -0.0188 C.3 1 UNL111111111 -0.2505 3 C 1.7411 -0.2101 0.0031 C.3 1 UNL111111111 -0.2488 4 C 0.5041 0.6892 -0.0738 C.3 1 UNL111111111 -0.3872 5 C -0.7625 -0.1269 -0.0447 C.2 1 UNL111111111 0.4859 6 O -0.7523 -1.3306 0.0305 O.2 1 UNL111111111 -0.4570 7 C -2.0387 0.6444 -0.1075 C.3 1 UNL111111111 -0.3033 8 C -3.2644 -0.0571 -0.6681 C.3 1 UNL111111111 -0.2727 9 C -3.1705 0.2051 0.8070 C.3 1 UNL111111111 -0.2749 10 H 5.1831 0.2993 0.0407 H 1 UNL111111111 0.1388 11 H 4.2564 -0.8831 0.9711 H 1 UNL111111111 0.1449 12 H 4.2911 -0.9788 -0.7927 H 1 UNL111111111 0.1449 13 H 3.0342 1.3369 0.8269 H 1 UNL111111111 0.1319 14 H 3.0670 1.2402 -0.9364 H 1 UNL111111111 0.1320 15 H 1.7349 -0.9337 -0.8359 H 1 UNL111111111 0.1515 16 H 1.6997 -0.8341 0.9176 H 1 UNL111111111 0.1514 17 H 0.5006 1.4109 0.7682 H 1 UNL111111111 0.1660 18 H 0.5334 1.3030 -0.9966 H 1 UNL111111111 0.1654 19 H -1.9132 1.7122 -0.3051 H 1 UNL111111111 0.1674 20 H -3.9634 0.5009 -1.2837 H 1 UNL111111111 0.1545 21 H -3.1605 -1.0791 -1.0367 H 1 UNL111111111 0.1741 22 H -3.0039 -0.6293 1.4889 H 1 UNL111111111 0.1703 23 H -3.8001 0.9572 1.2734 H 1 UNL111111111 0.1550 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 2 6 5 7 1 7 7 8 1 8 8 9 1 9 7 9 1 10 1 10 1 11 1 11 1 12 1 12 1 13 2 13 1 14 2 14 1 15 3 15 1 16 3 16 1 17 4 17 1 18 4 18 1 19 7 19 1 20 8 20 1 21 8 21 1 22 9 22 1 23 9 23 1