@MOLECULE 5,5-dimethylhexanoyl (1S)-2,2-dimethylcyclobutanecarboxylate 44 44 0 0 0 SMALL USER_CHARGES @ATOM 1 C -4.0492 -0.8493 -0.1628 C.3 1 UNL11111111 0.1326 2 C -4.1590 -2.2512 0.4093 C.3 1 UNL11111111 -0.4680 3 C -3.4542 -0.8677 -1.5574 C.3 1 UNL11111111 -0.4802 4 C -5.3619 -0.0090 -0.0497 C.3 1 UNL11111111 -0.3057 5 C -4.6524 0.9983 0.8871 C.3 1 UNL11111111 -0.2623 6 C -3.3502 0.1581 0.8340 C.3 1 UNL11111111 -0.2491 7 H -3.0818 -0.3132 1.7975 H 1 UNL11111111 0.1770 8 C -2.1875 0.8788 0.2495 C.2 1 UNL11111111 0.6454 9 O -2.1431 1.9153 -0.3426 O.2 1 UNL11111111 -0.4379 10 O -1.0338 0.1863 0.5695 O.3 1 UNL11111111 -0.5629 11 C 0.1116 0.2680 -0.1908 C.2 1 UNL11111111 0.6437 12 O 0.0811 0.5672 -1.3469 O.2 1 UNL11111111 -0.4432 13 C 1.2695 -0.1610 0.6546 C.3 1 UNL11111111 -0.3491 14 C 2.5783 0.0192 -0.1206 C.3 1 UNL11111111 -0.2528 15 C 3.7623 -0.4905 0.7059 C.3 1 UNL11111111 -0.2983 16 C 5.1379 -0.1721 0.0724 C.3 1 UNL11111111 0.1321 17 C 5.3867 1.3437 0.0582 C.3 1 UNL11111111 -0.4662 18 C 6.2239 -0.8465 0.9330 C.3 1 UNL11111111 -0.4742 19 C 5.2227 -0.7228 -1.3581 C.3 1 UNL11111111 -0.4668 20 H -3.1736 -2.7276 0.4880 H 1 UNL11111111 0.1542 21 H -4.6064 -2.2551 1.4099 H 1 UNL11111111 0.1479 22 H -4.7819 -2.8910 -0.2282 H 1 UNL11111111 0.1529 23 H -4.0466 -1.4919 -2.2369 H 1 UNL11111111 0.1551 24 H -3.4078 0.1371 -2.0022 H 1 UNL11111111 0.1673 25 H -2.4301 -1.2642 -1.5583 H 1 UNL11111111 0.1596 26 H -5.7066 0.4168 -0.9954 H 1 UNL11111111 0.1502 27 H -6.2008 -0.5404 0.4033 H 1 UNL11111111 0.1425 28 H -4.5549 2.0084 0.4693 H 1 UNL11111111 0.1631 29 H -5.0901 1.0860 1.8842 H 1 UNL11111111 0.1426 30 H 1.2866 0.4204 1.6019 H 1 UNL11111111 0.1800 31 H 1.1332 -1.2192 0.9661 H 1 UNL11111111 0.1788 32 H 2.5236 -0.5174 -1.0893 H 1 UNL11111111 0.1555 33 H 2.7178 1.0863 -0.3844 H 1 UNL11111111 0.1542 34 H 3.7281 -0.0526 1.7216 H 1 UNL11111111 0.1383 35 H 3.6725 -1.5844 0.8452 H 1 UNL11111111 0.1370 36 H 5.3056 1.7721 1.0622 H 1 UNL11111111 0.1433 37 H 6.3877 1.5768 -0.3197 H 1 UNL11111111 0.1436 38 H 4.6684 1.8653 -0.5838 H 1 UNL11111111 0.1494 39 H 6.1164 -1.9353 0.9322 H 1 UNL11111111 0.1430 40 H 7.2263 -0.6171 0.5569 H 1 UNL11111111 0.1465 41 H 6.1795 -0.5076 1.9724 H 1 UNL11111111 0.1427 42 H 4.5457 -0.1916 -2.0364 H 1 UNL11111111 0.1506 43 H 6.2342 -0.6167 -1.7640 H 1 UNL11111111 0.1437 44 H 4.9632 -1.7854 -1.3940 H 1 UNL11111111 0.1436 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 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 16 18 1 19 16 19 1 20 2 20 1 21 2 21 1 22 2 22 1 23 3 23 1 24 3 24 1 25 3 25 1 26 4 26 1 27 4 27 1 28 5 28 1 29 5 29 1 30 13 30 1 31 13 31 1 32 14 32 1 33 14 33 1 34 15 34 1 35 15 35 1 36 17 36 1 37 17 37 1 38 17 38 1 39 18 39 1 40 18 40 1 41 18 41 1 42 19 42 1 43 19 43 1 44 19 44 1