@MOLECULE [2-[(1S,2R)-2-methylcyclobutyl]acetyl] (2S)-2-methylbutanoate 35 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.9915 -2.4634 0.2689 C.3 1 UNL1111111 -0.8624 2 C 3.2815 -1.1775 0.6860 C.3 1 UNL1111111 0.1293 3 C 3.0115 -0.2659 -0.5255 C.3 1 UNL1111111 -0.2788 4 H 2.5351 -0.8693 -1.3404 H 1 UNL1111111 0.1024 5 C 4.2803 0.4001 -1.0526 C.3 1 UNL1111111 -0.4978 6 C 2.0621 0.8178 -0.0699 C.2 1 UNL1111111 2.1509 7 O 2.2979 1.8619 0.4558 O.2 1 UNL1111111 -1.1597 8 O 0.7818 0.4354 -0.4130 O.3 1 UNL1111111 -1.6547 9 C -0.3496 0.9760 0.1571 C.2 1 UNL1111111 2.1377 10 O -0.3248 1.5772 1.1878 O.2 1 UNL1111111 -1.1351 11 C -1.5245 0.6168 -0.7011 C.3 1 UNL1111111 -1.1365 12 C -2.6566 0.0985 0.1712 C.3 1 UNL1111111 0.3379 13 H -2.8656 0.7993 1.0008 H 1 UNL1111111 0.0881 14 C -3.9428 -0.3032 -0.6248 C.3 1 UNL1111111 -0.0686 15 H -3.8083 -0.2446 -1.7179 H 1 UNL1111111 0.1545 16 C -5.1988 0.4278 -0.1992 C.3 1 UNL1111111 -0.4742 17 C -3.8088 -1.7591 -0.0867 C.3 1 UNL1111111 -0.3461 18 C -2.5044 -1.3731 0.6541 C.3 1 UNL1111111 -0.1780 19 H 3.4199 -3.0154 -0.4858 H 1 UNL1111111 0.2900 20 H 4.9842 -2.2618 -0.1497 H 1 UNL1111111 0.1638 21 H 4.1304 -3.1324 1.1269 H 1 UNL1111111 0.2284 22 H 2.3234 -1.4293 1.1862 H 1 UNL1111111 0.0812 23 H 3.8845 -0.6360 1.4419 H 1 UNL1111111 0.0909 24 H 4.7419 1.0496 -0.2945 H 1 UNL1111111 0.1265 25 H 5.0282 -0.3456 -1.3463 H 1 UNL1111111 0.1870 26 H 4.0750 1.0249 -1.9307 H 1 UNL1111111 0.1225 27 H -1.8496 1.5225 -1.2605 H 1 UNL1111111 0.1925 28 H -1.2445 -0.1280 -1.4779 H 1 UNL1111111 0.4167 29 H -5.1542 1.4899 -0.4713 H 1 UNL1111111 0.1309 30 H -6.0881 0.0009 -0.6781 H 1 UNL1111111 0.1121 31 H -5.3576 0.3757 0.8850 H 1 UNL1111111 0.1445 32 H -4.6235 -2.0763 0.5679 H 1 UNL1111111 0.0991 33 H -3.6861 -2.5168 -0.8625 H 1 UNL1111111 0.1569 34 H -1.6095 -1.8838 0.2913 H 1 UNL1111111 0.0263 35 H -2.5436 -1.4944 1.7396 H 1 UNL1111111 0.1220 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 9 10 2 10 9 11 1 11 11 12 1 12 12 13 1 13 12 14 1 14 14 15 1 15 14 16 1 16 14 17 1 17 17 18 1 18 12 18 1 19 1 19 1 20 1 20 1 21 1 21 1 22 2 22 1 23 2 23 1 24 5 24 1 25 5 25 1 26 5 26 1 27 11 27 1 28 11 28 1 29 16 29 1 30 16 30 1 31 16 31 1 32 17 32 1 33 17 33 1 34 18 34 1 35 18 35 1