@MOLECULE 6-methylheptanoyl 3-methylcyclobutanecarboxylate 41 41 0 0 0 SMALL USER_CHARGES @ATOM 1 C -4.1730 -0.7030 -0.8980 C.3 1 UNL1111111 -0.2767 2 C -5.5301 -0.1191 -0.4016 C.3 1 UNL1111111 -0.0762 3 H -5.7785 0.8449 -0.8794 H 1 UNL1111111 0.1421 4 C -6.6995 -1.0778 -0.4812 C.3 1 UNL1111111 -0.4536 5 C -4.9222 0.0562 1.0224 C.3 1 UNL1111111 -0.2826 6 C -3.5759 -0.5380 0.5283 C.3 1 UNL1111111 -0.2054 7 H -3.3018 -1.4968 1.0054 H 1 UNL1111111 0.1739 8 C -2.4390 0.4265 0.5795 C.2 1 UNL1111111 0.6314 9 O -2.4094 1.5531 0.9736 O.2 1 UNL1111111 -0.4284 10 O -1.2983 -0.2210 0.1476 O.3 1 UNL1111111 -0.5579 11 C -0.2142 0.4560 -0.3684 C.2 1 UNL1111111 0.6407 12 O -0.3210 1.5429 -0.8513 O.2 1 UNL1111111 -0.4377 13 C 0.9856 -0.4360 -0.2911 C.3 1 UNL1111111 -0.3479 14 C 2.2518 0.4174 -0.1694 C.3 1 UNL1111111 -0.2572 15 C 3.5041 -0.4644 -0.2275 C.3 1 UNL1111111 -0.2689 16 C 4.7602 0.3816 0.0155 C.3 1 UNL1111111 -0.2866 17 C 6.0504 -0.4255 -0.2219 C.3 1 UNL1111111 -0.0631 18 C 7.2525 0.5284 -0.2449 C.3 1 UNL1111111 -0.4572 19 C 6.2488 -1.4876 0.8659 C.3 1 UNL1111111 -0.4549 20 H -4.2176 -1.7376 -1.2460 H 1 UNL1111111 0.1494 21 H -3.6825 -0.1095 -1.6746 H 1 UNL1111111 0.1519 22 H -6.4781 -2.0380 -0.0002 H 1 UNL1111111 0.1469 23 H -7.5877 -0.6635 0.0118 H 1 UNL1111111 0.1482 24 H -6.9715 -1.2890 -1.5227 H 1 UNL1111111 0.1474 25 H -4.8638 1.0966 1.3627 H 1 UNL1111111 0.1642 26 H -5.4107 -0.5271 1.8055 H 1 UNL1111111 0.1473 27 H 0.9023 -1.1444 0.5606 H 1 UNL1111111 0.1794 28 H 1.0234 -1.0724 -1.2020 H 1 UNL1111111 0.1781 29 H 2.2802 1.1752 -0.9799 H 1 UNL1111111 0.1590 30 H 2.2330 0.9956 0.7753 H 1 UNL1111111 0.1499 31 H 3.4413 -1.2721 0.5255 H 1 UNL1111111 0.1377 32 H 3.5700 -0.9690 -1.2095 H 1 UNL1111111 0.1367 33 H 4.7511 1.2644 -0.6528 H 1 UNL1111111 0.1410 34 H 4.7533 0.7853 1.0447 H 1 UNL1111111 0.1409 35 H 5.9808 -0.9347 -1.2132 H 1 UNL1111111 0.1280 36 H 7.3381 1.0886 0.6923 H 1 UNL1111111 0.1458 37 H 8.1906 -0.0185 -0.3878 H 1 UNL1111111 0.1433 38 H 7.1698 1.2560 -1.0594 H 1 UNL1111111 0.1427 39 H 6.2812 -1.0378 1.8641 H 1 UNL1111111 0.1456 40 H 5.4384 -2.2237 0.8603 H 1 UNL1111111 0.1401 41 H 7.1878 -2.0329 0.7202 H 1 UNL1111111 0.1425 @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 17 19 1 20 1 20 1 21 1 21 1 22 4 22 1 23 4 23 1 24 4 24 1 25 5 25 1 26 5 26 1 27 13 27 1 28 13 28 1 29 14 29 1 30 14 30 1 31 15 31 1 32 15 32 1 33 16 33 1 34 16 34 1 35 17 35 1 36 18 36 1 37 18 37 1 38 18 38 1 39 19 39 1 40 19 40 1 41 19 41 1