@MOLECULE [2-[(1S,2S)-2-methylcyclopropyl]acetyl] hexanoate 35 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C 6.9554 1.1079 -0.0246 C.3 1 UNL11111111 -0.4433 2 C 5.8307 0.0736 -0.0610 C.3 1 UNL11111111 -0.2481 3 C 4.4580 0.7582 -0.0129 C.3 1 UNL11111111 -0.2701 4 C 3.3335 -0.2829 -0.0375 C.3 1 UNL11111111 -0.2594 5 C 1.9675 0.4070 0.0075 C.3 1 UNL11111111 -0.3502 6 C 0.8718 -0.6067 -0.1186 C.2 1 UNL11111111 0.6379 7 O 0.9313 -1.7593 -0.4180 O.2 1 UNL11111111 -0.4226 8 O -0.3231 0.0439 0.1156 O.3 1 UNL11111111 -0.5657 9 C -1.5128 -0.6054 0.3669 C.2 1 UNL11111111 0.6387 10 O -1.5684 -1.7605 0.6580 O.2 1 UNL11111111 -0.4220 11 C -2.6093 0.4161 0.2899 C.3 1 UNL11111111 -0.3377 12 C -3.9481 -0.2631 0.1547 C.3 1 UNL11111111 -0.1580 13 H -3.9958 -1.2145 0.7073 H 1 UNL11111111 0.1775 14 C -4.7202 -0.1687 -1.1441 C.3 1 UNL11111111 -0.3381 15 C -5.2255 0.5623 0.0810 C.3 1 UNL11111111 -0.1313 16 H -6.1080 0.1534 0.5903 H 1 UNL11111111 0.1533 17 C -5.1863 2.0647 0.1326 C.3 1 UNL11111111 -0.4343 18 H 6.9119 1.7182 0.8842 H 1 UNL11111111 0.1421 19 H 7.9392 0.6256 -0.0488 H 1 UNL11111111 0.1428 20 H 6.9032 1.7891 -0.8811 H 1 UNL11111111 0.1421 21 H 5.9147 -0.5433 -0.9761 H 1 UNL11111111 0.1373 22 H 5.9356 -0.6288 0.7879 H 1 UNL11111111 0.1369 23 H 4.3815 1.3825 0.8970 H 1 UNL11111111 0.1368 24 H 4.3563 1.4522 -0.8684 H 1 UNL11111111 0.1367 25 H 3.4138 -0.9167 -0.9443 H 1 UNL11111111 0.1570 26 H 3.4376 -0.9820 0.8160 H 1 UNL11111111 0.1517 27 H 1.8489 0.9888 0.9467 H 1 UNL11111111 0.1789 28 H 1.8737 1.1547 -0.8101 H 1 UNL11111111 0.1793 29 H -2.5857 1.0442 1.2107 H 1 UNL11111111 0.1846 30 H -2.4202 1.1253 -0.5461 H 1 UNL11111111 0.1826 31 H -4.3137 0.3935 -1.9788 H 1 UNL11111111 0.1583 32 H -5.2530 -1.0401 -1.5141 H 1 UNL11111111 0.1609 33 H -6.1025 2.4948 -0.2953 H 1 UNL11111111 0.1506 34 H -5.1074 2.4242 1.1671 H 1 UNL11111111 0.1490 35 H -4.3442 2.4881 -0.4270 H 1 UNL11111111 0.1460 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 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 15 16 1 16 12 15 1 17 15 17 1 18 1 18 1 19 1 19 1 20 1 20 1 21 2 21 1 22 2 22 1 23 3 23 1 24 3 24 1 25 4 25 1 26 4 26 1 27 5 27 1 28 5 28 1 29 11 29 1 30 11 30 1 31 14 31 1 32 14 32 1 33 17 33 1 34 17 34 1 35 17 35 1