@MOLECULE 1-[(1S,2R)-2-methylcyclobutyl]butan-1-one 26 26 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.9564 0.5003 -0.2614 C.3 1 UNL11111111 -0.4411 2 C 2.7103 -0.1641 0.3197 C.3 1 UNL11111111 -0.2266 3 C 1.5044 0.0257 -0.6058 C.3 1 UNL11111111 -0.3895 4 C 0.2615 -0.5926 -0.0134 C.2 1 UNL11111111 0.4770 5 O 0.2972 -1.2527 0.9945 O.2 1 UNL11111111 -0.4582 6 C -1.0151 -0.3473 -0.7673 C.3 1 UNL11111111 -0.2665 7 H -0.8507 -0.4359 -1.8540 H 1 UNL11111111 0.1530 8 C -1.7675 0.9742 -0.3807 C.3 1 UNL11111111 -0.0650 9 H -1.9950 1.5876 -1.2700 H 1 UNL11111111 0.1330 10 C -1.1343 1.8200 0.7038 C.3 1 UNL11111111 -0.4635 11 C -2.9869 0.1288 0.0937 C.3 1 UNL11111111 -0.2922 12 C -2.2324 -1.1731 -0.2693 C.3 1 UNL11111111 -0.2575 13 H 4.8174 0.3754 0.4057 H 1 UNL11111111 0.1435 14 H 4.2290 0.0677 -1.2305 H 1 UNL11111111 0.1412 15 H 3.8095 1.5759 -0.4064 H 1 UNL11111111 0.1405 16 H 2.8883 -1.2456 0.4880 H 1 UNL11111111 0.1503 17 H 2.4837 0.2481 1.3230 H 1 UNL11111111 0.1460 18 H 1.3335 1.1027 -0.8010 H 1 UNL11111111 0.1640 19 H 1.7082 -0.4270 -1.5965 H 1 UNL11111111 0.1648 20 H -0.2275 2.3248 0.3531 H 1 UNL11111111 0.1448 21 H -1.8278 2.5963 1.0512 H 1 UNL11111111 0.1524 22 H -0.8584 1.2197 1.5829 H 1 UNL11111111 0.1636 23 H -3.2218 0.2308 1.1563 H 1 UNL11111111 0.1475 24 H -3.9031 0.3016 -0.4731 H 1 UNL11111111 0.1367 25 H -2.7091 -1.7848 -1.0367 H 1 UNL11111111 0.1367 26 H -2.0079 -1.8170 0.5913 H 1 UNL11111111 0.1651 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 2 5 4 6 1 6 6 7 1 7 6 8 1 8 8 9 1 9 8 10 1 10 8 11 1 11 11 12 1 12 6 12 1 13 1 13 1 14 1 14 1 15 1 15 1 16 2 16 1 17 2 17 1 18 3 18 1 19 3 19 1 20 10 20 1 21 10 21 1 22 10 22 1 23 11 23 1 24 11 24 1 25 12 25 1 26 12 26 1