@MOLECULE [2-[(1S,2S)-2-methylcyclopropyl]acetyl] (1S)-2,2-dimethylcyclobutanecarboxylate 36 37 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.8474 -0.9851 -0.1215 C.3 1 UNL11111111 0.9723 2 C -2.6930 -2.3973 0.4127 C.3 1 UNL11111111 -1.0294 3 C -2.2950 -0.8632 -1.5283 C.3 1 UNL11111111 -1.8197 4 C -4.2843 -0.3933 0.0409 C.3 1 UNL11111111 -0.3081 5 C -3.7402 0.7036 0.9875 C.3 1 UNL11111111 -0.3287 6 C -2.3132 0.1063 0.8894 C.3 1 UNL11111111 -0.3823 7 H -1.9458 -0.3328 1.8357 H 1 UNL11111111 0.1885 8 C -1.3040 1.0265 0.3025 C.2 1 UNL11111111 0.4322 9 O -1.4388 2.0941 -0.2159 O.2 1 UNL11111111 -0.4438 10 O -0.0410 0.4969 0.5175 O.3 1 UNL11111111 -0.3476 11 C 0.9955 0.7084 -0.3610 C.2 1 UNL11111111 0.4952 12 O 0.8015 0.9479 -1.5156 O.2 1 UNL11111111 -0.3953 13 C 2.2885 0.5164 0.3714 C.3 1 UNL11111111 -0.7930 14 C 3.3490 0.0075 -0.5702 C.3 1 UNL11111111 0.2260 15 H 3.3030 0.4946 -1.5565 H 1 UNL11111111 0.1111 16 C 3.7730 -1.4450 -0.5203 C.3 1 UNL11111111 -0.3130 17 C 4.7258 -0.3708 -0.0411 C.3 1 UNL11111111 -0.3208 18 H 5.5852 -0.1288 -0.6797 H 1 UNL11111111 0.2025 19 C 5.0540 -0.2488 1.4216 C.3 1 UNL11111111 -0.6105 20 H -1.6391 -2.7037 0.4294 H 1 UNL11111111 0.2548 21 H -3.0803 -2.4983 1.4329 H 1 UNL11111111 0.2658 22 H -3.2336 -3.1183 -0.2130 H 1 UNL11111111 0.2685 23 H -2.7906 -1.5603 -2.2143 H 1 UNL11111111 0.3906 24 H -2.4298 0.1463 -1.9431 H 1 UNL11111111 0.5722 25 H -1.2177 -1.0778 -1.5637 H 1 UNL11111111 0.5934 26 H -4.7233 -0.0157 -0.8860 H 1 UNL11111111 0.1445 27 H -5.0038 -1.0746 0.4984 H 1 UNL11111111 0.0926 28 H -3.8307 1.7236 0.5933 H 1 UNL11111111 0.1890 29 H -4.1634 0.6933 1.9947 H 1 UNL11111111 0.1481 30 H 2.5994 1.4922 0.8137 H 1 UNL11111111 0.2820 31 H 2.1475 -0.1632 1.2416 H 1 UNL11111111 0.3471 32 H 3.3152 -2.1180 0.1971 H 1 UNL11111111 0.1744 33 H 3.9760 -1.9763 -1.4450 H 1 UNL11111111 0.1343 34 H 5.9689 -0.8051 1.6668 H 1 UNL11111111 0.2159 35 H 5.2234 0.7994 1.7030 H 1 UNL11111111 0.1924 36 H 4.2603 -0.6405 2.0694 H 1 UNL11111111 0.1987 @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 14 16 1 17 16 17 1 18 17 18 1 19 14 17 1 20 17 19 1 21 2 20 1 22 2 21 1 23 2 22 1 24 3 23 1 25 3 24 1 26 3 25 1 27 4 26 1 28 4 27 1 29 5 28 1 30 5 29 1 31 13 30 1 32 13 31 1 33 16 32 1 34 16 33 1 35 19 34 1 36 19 35 1 37 19 36 1