@MOLECULE 1-(3-methylcyclobutyl)pentan-1-one 29 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.8082 -1.1008 -0.1542 C.3 1 UNL11111111 -0.2862 2 C -3.0234 -0.2424 -0.6207 C.3 1 UNL11111111 -0.0786 3 H -3.0053 -0.0345 -1.7047 H 1 UNL11111111 0.1378 4 C -4.3771 -0.7742 -0.1976 C.3 1 UNL11111111 -0.4536 5 C -2.4918 0.9504 0.2267 C.3 1 UNL11111111 -0.2784 6 C -1.2874 0.0914 0.6971 C.3 1 UNL11111111 -0.2404 7 H -1.2943 -0.1059 1.7821 H 1 UNL11111111 0.1567 8 C 0.0617 0.5942 0.2613 C.2 1 UNL11111111 0.4677 9 O 0.2010 1.6437 -0.3130 O.2 1 UNL11111111 -0.4498 10 C 1.2325 -0.2939 0.6065 C.3 1 UNL11111111 -0.3899 11 C 2.4931 0.1437 -0.1444 C.3 1 UNL11111111 -0.2488 12 C 3.6937 -0.7249 0.2488 C.3 1 UNL11111111 -0.2522 13 C 4.9456 -0.2916 -0.5141 C.3 1 UNL11111111 -0.4394 14 H -2.0723 -1.9855 0.4282 H 1 UNL11111111 0.1438 15 H -1.1462 -1.4118 -0.9658 H 1 UNL11111111 0.1426 16 H -4.4120 -1.0035 0.8738 H 1 UNL11111111 0.1464 17 H -5.1707 -0.0440 -0.4007 H 1 UNL11111111 0.1484 18 H -4.6306 -1.6945 -0.7375 H 1 UNL11111111 0.1454 19 H -2.2103 1.8320 -0.3616 H 1 UNL11111111 0.1642 20 H -3.1555 1.2779 1.0287 H 1 UNL11111111 0.1418 21 H 1.4066 -0.2564 1.7012 H 1 UNL11111111 0.1662 22 H 0.9947 -1.3513 0.3789 H 1 UNL11111111 0.1622 23 H 2.3207 0.0931 -1.2367 H 1 UNL11111111 0.1462 24 H 2.7039 1.2126 0.0630 H 1 UNL11111111 0.1555 25 H 3.8733 -0.6552 1.3380 H 1 UNL11111111 0.1323 26 H 3.4769 -1.7900 0.0429 H 1 UNL11111111 0.1315 27 H 5.8191 -0.8799 -0.2134 H 1 UNL11111111 0.1389 28 H 4.8194 -0.4179 -1.5953 H 1 UNL11111111 0.1440 29 H 5.1805 0.7638 -0.3322 H 1 UNL11111111 0.1457 @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