@MOLECULE 1-(2,2-dimethylcyclopropyl)-1-hexanone 32 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.5790 -0.6293 0.0835 C.3 1 UNL111 -0.4417 2 C 4.3077 0.1420 0.4368 C.3 1 UNL111 -0.2504 3 C 3.0884 -0.4498 -0.2831 C.3 1 UNL111 -0.2719 4 C 1.8232 0.3388 0.0703 C.3 1 UNL111 -0.2502 5 C 0.6031 -0.2298 -0.6594 C.3 1 UNL111 -0.3851 6 C -0.6344 0.5731 -0.3434 C.2 1 UNL111 0.4969 7 O -0.5826 1.6181 0.2579 O.2 1 UNL111 -0.4673 8 C -1.9189 -0.0040 -0.8235 C.3 1 UNL111 -0.3463 9 H -1.8059 -0.6533 -1.6970 H 1 UNL111 0.1702 10 C -3.1812 0.8282 -0.7065 C.3 1 UNL111 -0.3140 11 C -3.0108 -0.3699 0.1949 C.3 1 UNL111 0.1003 12 C -3.8178 -1.6125 -0.0895 C.3 1 UNL111 -0.4517 13 C -2.7610 -0.1539 1.6639 C.3 1 UNL111 -0.4581 14 H 5.5021 -1.6833 0.3723 H 1 UNL111 0.1409 15 H 5.7821 -0.5964 -0.9926 H 1 UNL111 0.1416 16 H 6.4525 -0.2109 0.5958 H 1 UNL111 0.1411 17 H 4.1464 0.1244 1.5313 H 1 UNL111 0.1353 18 H 4.4254 1.2089 0.1666 H 1 UNL111 0.1368 19 H 3.2545 -0.4368 -1.3764 H 1 UNL111 0.1352 20 H 2.9664 -1.5131 -0.0067 H 1 UNL111 0.1342 21 H 1.6497 0.3245 1.1640 H 1 UNL111 0.1465 22 H 1.9490 1.4100 -0.1873 H 1 UNL111 0.1549 23 H 0.7737 -0.2256 -1.7554 H 1 UNL111 0.1667 24 H 0.4466 -1.2914 -0.3823 H 1 UNL111 0.1638 25 H -3.1045 1.8314 -0.2843 H 1 UNL111 0.1779 26 H -3.9083 0.8147 -1.5114 H 1 UNL111 0.1563 27 H -4.0167 -1.7517 -1.1588 H 1 UNL111 0.1490 28 H -3.3004 -2.5127 0.2670 H 1 UNL111 0.1530 29 H -4.7919 -1.5710 0.4168 H 1 UNL111 0.1558 30 H -3.7053 -0.0331 2.2109 H 1 UNL111 0.1553 31 H -2.2221 -0.9983 2.1109 H 1 UNL111 0.1515 32 H -2.1641 0.7516 1.8575 H 1 UNL111 0.1738 @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 11 12 1 13 11 13 1 14 1 14 1 15 1 15 1 16 1 16 1 17 2 17 1 18 2 18 1 19 3 19 1 20 3 20 1 21 4 21 1 22 4 22 1 23 5 23 1 24 5 24 1 25 10 25 1 26 10 26 1 27 12 27 1 28 12 28 1 29 12 29 1 30 13 30 1 31 13 31 1 32 13 32 1