@MOLECULE 1-(3,3-dimethylcyclobutyl)-2,2-dimethyl-pentan-1-one 38 38 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.3904 0.1231 1.1233 C.3 1 UNL11111111 -0.2956 2 C 3.0972 -0.2400 -0.2217 C.3 1 UNL11111111 0.1113 3 C 4.3831 0.5295 -0.4693 C.3 1 UNL11111111 -0.4662 4 C 3.2973 -1.7327 -0.4157 C.3 1 UNL11111111 -0.4662 5 C 1.8676 0.3333 -1.0008 C.3 1 UNL11111111 -0.2964 6 C 1.1757 0.6947 0.3446 C.3 1 UNL11111111 -0.2339 7 C -0.1063 -0.0635 0.5490 C.2 1 UNL11111111 0.4454 8 O -0.1152 -1.1471 1.0783 O.2 1 UNL11111111 -0.4626 9 C -1.4203 0.5820 0.0821 C.3 1 UNL11111111 -0.0063 10 C -1.7697 1.6569 1.1187 C.3 1 UNL11111111 -0.4531 11 C -1.2377 1.2075 -1.3021 C.3 1 UNL11111111 -0.4551 12 C -2.4926 -0.5263 0.0483 C.3 1 UNL11111111 -0.2797 13 C -3.8572 -0.0608 -0.4708 C.3 1 UNL11111111 -0.2467 14 C -4.8736 -1.2015 -0.3933 C.3 1 UNL11111111 -0.4406 15 H 2.1518 -0.7427 1.7525 H 1 UNL11111111 0.1670 16 H 2.9185 0.8523 1.7379 H 1 UNL11111111 0.1392 17 H 5.1794 0.2011 0.2089 H 1 UNL11111111 0.1488 18 H 4.7429 0.3824 -1.4944 H 1 UNL11111111 0.1469 19 H 4.2493 1.6065 -0.3183 H 1 UNL11111111 0.1453 20 H 2.3680 -2.2890 -0.2279 H 1 UNL11111111 0.1617 21 H 3.6226 -1.9668 -1.4347 H 1 UNL11111111 0.1449 22 H 4.0528 -2.1254 0.2745 H 1 UNL11111111 0.1484 23 H 2.0914 1.1920 -1.6355 H 1 UNL11111111 0.1416 24 H 1.3372 -0.4068 -1.6046 H 1 UNL11111111 0.1477 25 H 1.0364 1.7771 0.4947 H 1 UNL11111111 0.1535 26 H -1.0115 2.4456 1.1636 H 1 UNL11111111 0.1448 27 H -2.7244 2.1397 0.8789 H 1 UNL11111111 0.1539 28 H -1.8680 1.2275 2.1236 H 1 UNL11111111 0.1552 29 H -1.0123 0.4470 -2.0584 H 1 UNL11111111 0.1498 30 H -2.1486 1.7271 -1.6230 H 1 UNL11111111 0.1535 31 H -0.4296 1.9466 -1.3195 H 1 UNL11111111 0.1477 32 H -2.1267 -1.3684 -0.5724 H 1 UNL11111111 0.1480 33 H -2.6042 -0.9519 1.0671 H 1 UNL11111111 0.1571 34 H -4.2180 0.8043 0.1157 H 1 UNL11111111 0.1319 35 H -3.7710 0.2912 -1.5158 H 1 UNL11111111 0.1318 36 H -4.5416 -2.0732 -0.9686 H 1 UNL11111111 0.1444 37 H -5.0279 -1.5302 0.6407 H 1 UNL11111111 0.1447 38 H -5.8465 -0.8944 -0.7909 H 1 UNL11111111 0.1380 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 1 6 1 7 6 7 1 8 7 8 2 9 7 9 1 10 9 10 1 11 9 11 1 12 9 12 1 13 12 13 1 14 13 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 6 25 1 26 10 26 1 27 10 27 1 28 10 28 1 29 11 29 1 30 11 30 1 31 11 31 1 32 12 32 1 33 12 33 1 34 13 34 1 35 13 35 1 36 14 36 1 37 14 37 1 38 14 38 1