@MOLECULE 1-[(1S)-2,2-dimethylcyclopropyl]-3,3-dimethyl-butan-1-one 32 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.9880 1.1361 -0.1409 C.3 1 UNL11111111 -0.4711 2 C -2.3586 -0.2593 -0.0469 C.3 1 UNL11111111 0.1623 3 C -2.1274 -0.6373 1.4222 C.3 1 UNL11111111 -0.4719 4 C -3.3154 -1.2851 -0.6869 C.3 1 UNL11111111 -0.4725 5 C -1.0258 -0.3038 -0.8296 C.3 1 UNL11111111 -0.4168 6 C 0.0680 0.5741 -0.2807 C.2 1 UNL11111111 0.5076 7 O -0.1073 1.4331 0.5478 O.2 1 UNL11111111 -0.4716 8 C 1.4223 0.3088 -0.8489 C.3 1 UNL11111111 -0.3458 9 H 1.3985 -0.0349 -1.8869 H 1 UNL11111111 0.1701 10 C 2.5822 1.1766 -0.4043 C.3 1 UNL11111111 -0.3142 11 C 2.5178 -0.2565 0.0665 C.3 1 UNL11111111 0.0968 12 C 2.2042 -0.5379 1.5123 C.3 1 UNL11111111 -0.4568 13 C 3.4644 -1.2632 -0.5390 C.3 1 UNL11111111 -0.4507 14 H -2.3408 1.8936 0.3242 H 1 UNL11111111 0.1722 15 H -3.1528 1.4382 -1.1787 H 1 UNL11111111 0.1395 16 H -3.9520 1.1737 0.3754 H 1 UNL11111111 0.1429 17 H -3.0726 -0.6869 1.9724 H 1 UNL11111111 0.1455 18 H -1.6338 -1.6079 1.5184 H 1 UNL11111111 0.1384 19 H -1.4999 0.1092 1.9279 H 1 UNL11111111 0.1652 20 H -3.5054 -1.0549 -1.7394 H 1 UNL11111111 0.1420 21 H -2.9127 -2.3005 -0.6316 H 1 UNL11111111 0.1413 22 H -4.2832 -1.2892 -0.1744 H 1 UNL11111111 0.1465 23 H -0.6624 -1.3517 -0.8679 H 1 UNL11111111 0.1656 24 H -1.2136 -0.0143 -1.8846 H 1 UNL11111111 0.1690 25 H 3.3287 1.4860 -1.1276 H 1 UNL11111111 0.1555 26 H 2.3859 1.9836 0.3034 H 1 UNL11111111 0.1779 27 H 1.5117 0.2040 1.9400 H 1 UNL11111111 0.1708 28 H 1.7438 -1.5251 1.6417 H 1 UNL11111111 0.1509 29 H 3.1148 -0.5117 2.1255 H 1 UNL11111111 0.1553 30 H 4.4140 -1.2900 0.0124 H 1 UNL11111111 0.1548 31 H 3.0403 -2.2755 -0.5120 H 1 UNL11111111 0.1525 32 H 3.7063 -1.0373 -1.5844 H 1 UNL11111111 0.1487 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 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 3 17 1 18 3 18 1 19 3 19 1 20 4 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