@MOLECULE 3,3-dimethyl-1-(1-methylcyclobutyl)pentan-1-one 35 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.1951 0.8516 -0.2630 C.3 1 UNL11111111 -0.5720 2 C 2.8617 0.5089 -0.9266 C.3 1 UNL11111111 -0.0882 3 C 1.8078 -0.0731 0.0523 C.3 1 UNL11111111 0.4761 4 C 2.3539 -1.3286 0.7399 C.3 1 UNL11111111 -0.7130 5 C 1.4249 0.9757 1.1046 C.3 1 UNL11111111 -0.4493 6 C 0.5634 -0.4434 -0.8007 C.3 1 UNL11111111 -0.1631 7 C -0.6562 -0.7760 0.0220 C.2 1 UNL11111111 1.8817 8 O -0.6248 -1.5565 0.9401 O.2 1 UNL11111111 -1.3414 9 C -1.9638 -0.1288 -0.3932 C.3 1 UNL11111111 0.2240 10 C -2.4399 -0.7523 -1.6901 C.3 1 UNL11111111 -0.7749 11 C -3.0282 -0.1018 0.7452 C.3 1 UNL11111111 -0.4642 12 C -2.9868 1.4466 0.7564 C.3 1 UNL11111111 -0.3366 13 C -1.9320 1.4293 -0.3799 C.3 1 UNL11111111 -0.3703 14 H 4.0681 1.5644 0.5592 H 1 UNL11111111 0.1993 15 H 4.6838 -0.0403 0.1450 H 1 UNL11111111 0.1085 16 H 4.8869 1.3029 -0.9829 H 1 UNL11111111 0.1400 17 H 2.4511 1.4163 -1.4089 H 1 UNL11111111 0.0885 18 H 3.0388 -0.2172 -1.7429 H 1 UNL11111111 0.0448 19 H 3.1733 -1.0886 1.4245 H 1 UNL11111111 0.1503 20 H 1.5736 -1.8262 1.3350 H 1 UNL11111111 0.2399 21 H 2.7256 -2.0588 0.0154 H 1 UNL11111111 0.1518 22 H 1.0543 1.8961 0.6453 H 1 UNL11111111 0.0432 23 H 0.6500 0.5952 1.7820 H 1 UNL11111111 0.0237 24 H 2.2852 1.2429 1.7290 H 1 UNL11111111 0.1532 25 H 0.3425 0.3791 -1.5067 H 1 UNL11111111 -0.0926 26 H 0.8056 -1.3272 -1.4278 H 1 UNL11111111 0.0271 27 H -2.5965 -1.8338 -1.5785 H 1 UNL11111111 0.1700 28 H -3.3971 -0.3215 -2.0118 H 1 UNL11111111 0.2324 29 H -1.7251 -0.5984 -2.5070 H 1 UNL11111111 0.1732 30 H -3.9927 -0.5341 0.4739 H 1 UNL11111111 0.1316 31 H -2.6986 -0.5775 1.6760 H 1 UNL11111111 0.1924 32 H -3.9300 1.9291 0.4932 H 1 UNL11111111 0.1321 33 H -2.6329 1.8822 1.6938 H 1 UNL11111111 0.1796 34 H -0.9681 1.8657 -0.1063 H 1 UNL11111111 0.0150 35 H -2.2613 1.8924 -1.3123 H 1 UNL11111111 0.1874 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 1 7 7 8 2 8 7 9 1 9 9 10 1 10 9 11 1 11 11 12 1 12 12 13 1 13 9 13 1 14 1 14 1 15 1 15 1 16 1 16 1 17 2 17 1 18 2 18 1 19 4 19 1 20 4 20 1 21 4 21 1 22 5 22 1 23 5 23 1 24 5 24 1 25 6 25 1 26 6 26 1 27 10 27 1 28 10 28 1 29 10 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