@MOLECULE 4,4-dimethylhexanoyl 1-methylcyclobutanecarboxylate 41 41 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.4304 -1.6464 -0.3603 C.3 1 UNL1111111 -0.2722 2 C -4.8216 -1.3652 -0.9838 C.3 1 UNL1111111 -0.2768 3 C -4.8818 -0.0023 -0.2478 C.3 1 UNL1111111 -0.2776 4 C -3.4805 -0.2741 0.3784 C.3 1 UNL1111111 -0.0102 5 C -3.4400 -0.3391 1.8892 C.3 1 UNL1111111 -0.4486 6 C -2.4381 0.6935 -0.1142 C.2 1 UNL1111111 0.6152 7 O -2.5860 1.7571 -0.6344 O.2 1 UNL1111111 -0.4281 8 O -1.1975 0.1279 0.0807 O.3 1 UNL1111111 -0.5541 9 C -0.0153 0.8362 0.0247 C.2 1 UNL1111111 0.6309 10 O 0.0255 2.0280 0.0623 O.2 1 UNL1111111 -0.4276 11 C 1.1028 -0.1614 -0.0053 C.3 1 UNL1111111 -0.3410 12 C 2.4311 0.5455 -0.2818 C.3 1 UNL1111111 -0.2901 13 C 3.6750 -0.3350 0.0063 C.3 1 UNL1111111 0.1140 14 C 3.7832 -0.6052 1.5132 C.3 1 UNL1111111 -0.4636 15 C 3.5769 -1.6629 -0.7567 C.3 1 UNL1111111 -0.4658 16 C 4.9066 0.4693 -0.4867 C.3 1 UNL1111111 -0.2783 17 C 6.2512 -0.1869 -0.1762 C.3 1 UNL1111111 -0.4367 18 H -3.3931 -2.5108 0.3068 H 1 UNL1111111 0.1472 19 H -2.6147 -1.7468 -1.0815 H 1 UNL1111111 0.1511 20 H -4.8221 -1.2894 -2.0745 H 1 UNL1111111 0.1445 21 H -5.6009 -2.0733 -0.6942 H 1 UNL1111111 0.1396 22 H -4.9251 0.8735 -0.9056 H 1 UNL1111111 0.1635 23 H -5.6886 0.0892 0.4830 H 1 UNL1111111 0.1481 24 H -4.1970 -1.0300 2.2821 H 1 UNL1111111 0.1572 25 H -2.4617 -0.6878 2.2493 H 1 UNL1111111 0.1619 26 H -3.6298 0.6430 2.3439 H 1 UNL1111111 0.1594 27 H 1.1314 -0.7044 0.9651 H 1 UNL1111111 0.1804 28 H 0.9018 -0.9427 -0.7693 H 1 UNL1111111 0.1790 29 H 2.4530 0.8858 -1.3359 H 1 UNL1111111 0.1491 30 H 2.4966 1.4723 0.3264 H 1 UNL1111111 0.1608 31 H 2.8967 -1.1165 1.9007 H 1 UNL1111111 0.1400 32 H 4.6444 -1.2423 1.7421 H 1 UNL1111111 0.1462 33 H 3.9040 0.3257 2.0778 H 1 UNL1111111 0.1482 34 H 3.4493 -1.4975 -1.8314 H 1 UNL1111111 0.1458 35 H 4.4823 -2.2654 -0.6238 H 1 UNL1111111 0.1456 36 H 2.7374 -2.2715 -0.4077 H 1 UNL1111111 0.1419 37 H 4.8210 0.6245 -1.5798 H 1 UNL1111111 0.1369 38 H 4.8855 1.4807 -0.0356 H 1 UNL1111111 0.1391 39 H 7.0756 0.3841 -0.6196 H 1 UNL1111111 0.1406 40 H 6.4364 -0.2411 0.9022 H 1 UNL1111111 0.1428 41 H 6.3094 -1.2054 -0.5743 H 1 UNL1111111 0.1416 @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 8 9 1 10 9 10 2 11 9 11 1 12 11 12 1 13 12 13 1 14 13 14 1 15 13 15 1 16 13 16 1 17 16 17 1 18 1 18 1 19 1 19 1 20 2 20 1 21 2 21 1 22 3 22 1 23 3 23 1 24 5 24 1 25 5 25 1 26 5 26 1 27 11 27 1 28 11 28 1 29 12 29 1 30 12 30 1 31 14 31 1 32 14 32 1 33 14 33 1 34 15 34 1 35 15 35 1 36 15 36 1 37 16 37 1 38 16 38 1 39 17 39 1 40 17 40 1 41 17 41 1