@MOLECULE 2-(1-methylcyclobutyl)butan-2-one 27 27 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.1245 -1.2550 0.5269 C.3 1 UNL111 -0.2935 2 C -2.2963 -1.0534 -0.4671 C.3 1 UNL111 -0.2694 3 C -1.8615 0.4170 -0.6884 C.3 1 UNL111 -0.2950 4 C -0.7113 0.2406 0.3582 C.3 1 UNL111 0.0316 5 C -0.9224 1.0648 1.6155 C.3 1 UNL111 -0.4599 6 C 0.6904 0.4463 -0.2659 C.2 1 UNL111 0.1837 7 O 0.8124 -0.3226 -1.3754 O.2 1 UNL111 -0.2201 8 C 0.9157 1.9234 -0.6454 C.3 1 UNL111 -0.4927 9 C 1.8498 -0.0414 0.6745 C.3 1 UNL111 -0.2539 10 C 2.3629 -1.4334 0.3204 C.3 1 UNL111 -0.4366 11 H -1.4207 -1.5342 1.5383 H 1 UNL111 0.1371 12 H -0.3709 -1.9676 0.1781 H 1 UNL111 0.1502 13 H -2.2401 -1.6789 -1.3616 H 1 UNL111 0.1417 14 H -3.2886 -1.1708 -0.0274 H 1 UNL111 0.1352 15 H -1.5171 0.6287 -1.7043 H 1 UNL111 0.1468 16 H -2.6092 1.1636 -0.4190 H 1 UNL111 0.1387 17 H -1.9276 0.9045 2.0276 H 1 UNL111 0.1529 18 H -0.2079 0.8025 2.4039 H 1 UNL111 0.1453 19 H -0.8247 2.1387 1.4186 H 1 UNL111 0.1502 20 H 0.0574 2.3188 -1.1992 H 1 UNL111 0.1556 21 H 1.0674 2.5518 0.2352 H 1 UNL111 0.1491 22 H 1.7926 2.0222 -1.2958 H 1 UNL111 0.1585 23 H 2.6832 0.6838 0.6157 H 1 UNL111 0.1467 24 H 1.4876 -0.0239 1.7185 H 1 UNL111 0.1468 25 H 1.5589 -2.1798 0.3287 H 1 UNL111 0.1520 26 H 2.8114 -1.4550 -0.6820 H 1 UNL111 0.1562 27 H 3.1283 -1.7643 1.0317 H 1 UNL111 0.1429 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 1 4 1 5 4 5 1 6 4 6 1 7 6 7 2 8 6 8 1 9 6 9 1 10 9 10 1 11 1 11 1 12 1 12 1 13 2 13 1 14 2 14 1 15 3 15 1 16 3 16 1 17 5 17 1 18 5 18 1 19 5 19 1 20 8 20 1 21 8 21 1 22 8 22 1 23 9 23 1 24 9 24 1 25 10 25 1 26 10 26 1 27 10 27 1