@MOLECULE 1-(3-methylcyclobutyl)pentan-1-one 29 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.7982 -0.7519 -1.0501 C.3 1 UNL11111111 -0.2864 2 C -3.1132 -0.5146 -0.2461 C.3 1 UNL11111111 -0.0797 3 H -4.0099 -0.5212 -0.8881 H 1 UNL11111111 0.1315 4 C -3.2995 -1.4254 0.9497 C.3 1 UNL11111111 -0.4537 5 C -2.6282 0.9246 0.0974 C.3 1 UNL11111111 -0.2789 6 C -1.3389 0.7000 -0.7368 C.3 1 UNL11111111 -0.2401 7 H -1.2787 1.3456 -1.6293 H 1 UNL11111111 0.1565 8 C -0.0576 0.7677 0.0483 C.2 1 UNL11111111 0.4696 9 O -0.0307 1.1028 1.2051 O.2 1 UNL11111111 -0.4524 10 C 1.1992 0.4138 -0.7098 C.3 1 UNL11111111 -0.3911 11 C 2.3135 -0.0107 0.2515 C.3 1 UNL11111111 -0.2489 12 C 3.6149 -0.2901 -0.5095 C.3 1 UNL11111111 -0.2509 13 C 4.7106 -0.7663 0.4447 C.3 1 UNL11111111 -0.4396 14 H -1.1563 -1.5342 -0.6368 H 1 UNL11111111 0.1472 15 H -1.9473 -0.9593 -2.1112 H 1 UNL11111111 0.1394 16 H -2.4287 -1.4040 1.6184 H 1 UNL11111111 0.1559 17 H -4.1698 -1.1246 1.5458 H 1 UNL11111111 0.1482 18 H -3.4522 -2.4659 0.6412 H 1 UNL11111111 0.1447 19 H -3.2730 1.7252 -0.2671 H 1 UNL11111111 0.1378 20 H -2.4415 1.0990 1.1646 H 1 UNL11111111 0.1683 21 H 1.0010 -0.3861 -1.4484 H 1 UNL11111111 0.1604 22 H 1.5199 1.2969 -1.3006 H 1 UNL11111111 0.1682 23 H 2.4747 0.7790 1.0139 H 1 UNL11111111 0.1581 24 H 2.0015 -0.9043 0.8241 H 1 UNL11111111 0.1431 25 H 3.4429 -1.0501 -1.2945 H 1 UNL11111111 0.1314 26 H 3.9474 0.6237 -1.0375 H 1 UNL11111111 0.1327 27 H 5.6538 -0.9364 -0.0859 H 1 UNL11111111 0.1390 28 H 4.9049 -0.0286 1.2319 H 1 UNL11111111 0.1459 29 H 4.4346 -1.7062 0.9363 H 1 UNL11111111 0.1436 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 6 7 1 7 1 6 1 8 6 8 1 9 8 9 2 10 8 10 1 11 10 11 1 12 11 12 1 13 12 13 1 14 1 14 1 15 1 15 1 16 4 16 1 17 4 17 1 18 4 18 1 19 5 19 1 20 5 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 27 13 27 1 28 13 28 1 29 13 29 1