@MOLECULE heptanoyl 3-methylcyclobutanecarboxylate 38 38 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.8690 1.4249 -0.4793 C.3 1 UNL11111111 -0.2794 2 C -5.2498 0.8197 -0.0816 C.3 1 UNL11111111 -0.0750 3 H -5.9466 1.5760 0.3168 H 1 UNL11111111 0.1329 4 C -5.9103 -0.0106 -1.1616 C.3 1 UNL11111111 -0.4547 5 C -4.5517 -0.0087 1.0393 C.3 1 UNL11111111 -0.2812 6 C -3.1834 0.6225 0.6633 C.3 1 UNL11111111 -0.2050 7 H -2.7487 1.2596 1.4547 H 1 UNL11111111 0.1731 8 C -2.1957 -0.3734 0.1479 C.2 1 UNL11111111 0.6285 9 O -2.3840 -1.4124 -0.4083 O.2 1 UNL11111111 -0.4263 10 O -0.9335 0.1358 0.3640 O.3 1 UNL11111111 -0.5599 11 C 0.2290 -0.5916 0.2135 C.2 1 UNL11111111 0.6334 12 O 0.2439 -1.7824 0.1517 O.2 1 UNL11111111 -0.4241 13 C 1.3697 0.3800 0.2130 C.3 1 UNL11111111 -0.3481 14 C 2.6919 -0.3601 -0.0047 C.3 1 UNL11111111 -0.2561 15 C 3.8704 0.6178 0.0543 C.3 1 UNL11111111 -0.2728 16 C 5.1949 -0.1253 -0.1610 C.3 1 UNL11111111 -0.2695 17 C 6.3812 0.8449 -0.0889 C.3 1 UNL11111111 -0.2549 18 C 7.7019 0.1047 -0.2999 C.3 1 UNL11111111 -0.4396 19 H -3.5362 1.1636 -1.4880 H 1 UNL11111111 0.1547 20 H -3.7967 2.5089 -0.3705 H 1 UNL11111111 0.1444 21 H -5.2395 -0.7956 -1.5397 H 1 UNL11111111 0.1628 22 H -6.8123 -0.5095 -0.7869 H 1 UNL11111111 0.1480 23 H -6.2052 0.6066 -2.0184 H 1 UNL11111111 0.1461 24 H -4.8896 0.2172 2.0523 H 1 UNL11111111 0.1436 25 H -4.6062 -1.0943 0.8965 H 1 UNL11111111 0.1660 26 H 1.2121 1.1507 -0.5720 H 1 UNL11111111 0.1789 27 H 1.3822 0.9418 1.1724 H 1 UNL11111111 0.1793 28 H 2.8145 -1.1567 0.7569 H 1 UNL11111111 0.1551 29 H 2.6784 -0.8889 -0.9788 H 1 UNL11111111 0.1532 30 H 3.7524 1.4075 -0.7112 H 1 UNL11111111 0.1367 31 H 3.8858 1.1393 1.0297 H 1 UNL11111111 0.1363 32 H 5.3129 -0.9210 0.5985 H 1 UNL11111111 0.1399 33 H 5.1882 -0.6409 -1.1398 H 1 UNL11111111 0.1397 34 H 6.2684 1.6400 -0.8496 H 1 UNL11111111 0.1330 35 H 6.3902 1.3608 0.8898 H 1 UNL11111111 0.1330 36 H 7.8611 -0.6585 0.4702 H 1 UNL11111111 0.1436 37 H 7.7284 -0.3987 -1.2730 H 1 UNL11111111 0.1438 38 H 8.5536 0.7927 -0.2624 H 1 UNL11111111 0.1407 @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 2 13 11 13 1 14 13 14 1 15 14 15 1 16 15 16 1 17 16 17 1 18 17 18 1 19 1 19 1 20 1 20 1 21 4 21 1 22 4 22 1 23 4 23 1 24 5 24 1 25 5 25 1 26 13 26 1 27 13 27 1 28 14 28 1 29 14 29 1 30 15 30 1 31 15 31 1 32 16 32 1 33 16 33 1 34 17 34 1 35 17 35 1 36 18 36 1 37 18 37 1 38 18 38 1